SCHEMBL15099972

SCHEMBL15099972

Cc1ccc2c(c1)cc(C(C)(C)CCO)n2CCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ NR1I2 O75469 1/20 0.30

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
SCHEMBL14845738 0.84 NR1I2 (0.39) KMT2AKDM4EHSD17B10HTTALDH1A1
SCHEMBL1466715 0.84 KDM4E (0.46) KMT2AKDM4EHSD17B10HTTMAPT
SCHEMBL19085813 0.82 KDM4E (0.33) KMT2AKDM4EHTTALDH1A1POLB
SCHEMBL19752989 0.81 CNR2 (0.32) KMT2AKDM4EHTTNR1I2
SCHEMBL23278435 0.78 MAPT (0.38) KDM4EHSD17B10LMNATP53MAPT
SCHEMBL12745350 0.77 NR1I2 (0.38) KMT2AKDM4EHTTALDH1A1MEN1
SCHEMBL13365035 0.72 KMT2A (0.39) KMT2AKDM4EHSD17B10HTTRXFP1
SCHEMBL14845720 0.69 CFTR (0.42) KMT2AKDM4EHSD17B10LMNAMAPT
SCHEMBL13365257 0.68 CFTR (0.51) KMT2AKDM4EHSD17B10LMNATP53
SCHEMBL15099967 0.67 CFTR (0.35) KMT2AKDM4EHSD17B10HTTLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 — — US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 — — US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 — — US disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 — — US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 — — US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 — — US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 — — US disclosed
US-8623905-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 — — US disclosed
US-8575209-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 — — 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 (6 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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885KDM4E 4235/4885HSD17B10 1734/4885

“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.

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