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SCHEMBL12170293

SCHEMBL12170293

COc1ccc(C2(C(C)=O)CC2)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ TOP2A P11388 2/20 0.37
▸ QPCT Q16769 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1465320 0.90 TLR7 (0.38) LMNATSHRCASP1TLR7TOP2A
SCHEMBL16509657 0.82 LMNA (0.46) LMNATSHRCASP1TLR7MEN1
SCHEMBL12170294 0.79 LMNA (0.47) LMNATSHRCASP1TLR7QPCT
SCHEMBL12170295 0.77 LMNA (0.46) LMNATSHRCASP1TLR7QPCT
SCHEMBL7799947 0.75 TACR1 (0.43) TOP2AALDH1A1MAPTPDE4A
SCHEMBL7791948 0.74 IDO1 (0.34) TOP2AALDH1A1MAPT
SCHEMBL16867624 0.74 LMNA (0.65) LMNATSHRCASP1QPCTMEN1
SCHEMBL7797928 0.72 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL2194855 0.72 TLR7 (0.48) LMNATLR7MEN1KMT2AL3MBTL1
SCHEMBL23462893 0.72 IDO1 (0.44) LMNATSHRALDH1A1MAPTBACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 — — US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 — — US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 — — US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 — — US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 — — US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 — — US disclosed
US-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 — — US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 — — US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 — — US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 — — US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 — — US disclosed
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-22 — — US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 — — US disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 — — US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3535/4885TSHR 2723/4885CASP1 4251/4885
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 LMNA 2078/4885TSHR 3893/4885CASP1 3170/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LMNA 3485/4885TSHR 3010/4885CASP1 4014/4885
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3535/4885TSHR 2723/4885CASP1 4251/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3535/4885TSHR 2723/4885CASP1 4251/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LMNA 3535/4885TSHR 2723/4885CASP1 4251/4885
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3535/4885TSHR 2723/4885CASP1 4251/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LMNA 3455/4885TSHR 2748/4885CASP1 4322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.