SCHEMBL1143263

SCHEMBL1143263

CC(C)(C)[Si](C)(C)OCCCCCCOS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.56
ALOX15 P16050 1/20 0.56
DUT P33316 2/20 0.37
CA1 P00915 15/20 0.34
CA2 P00918 15/20 0.34
CA9 Q16790 14/20 0.34
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA14 Q9ULX7 5/20 0.34
CA3 P07451 4/20 0.34
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
RECQL P46063 2/20 0.32

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
SCHEMBL4235404 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL10943473 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL10990981 1.00 TSHR (0.56) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL10949282 0.98 KDM4E (0.58) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL10982965 0.94 KDM4E (0.52) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1744548 0.93 KDM4E (0.48) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1744584 0.90 KDM4E (0.44) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4188554 0.86 USP2 (0.44) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL14245094 0.82 DUT (0.42) DUT
SCHEMBL9007756 0.82 DUT (0.42) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
EP-2459560-B1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MERCK SHARP & DOHME (NL) 2015-08-19 EP disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
US-8431564-B2 Ring-annulated dihydropyrrolo[2,1-α]isoquinolines MERCK SHARP & DOHME B.V. (NL) 2013-04-30 US disclosed
EP-2459560-A1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES MSD Oss B.V. (NL) 2012-06-06 EP disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
US-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines N.V. ORGANON (NL) 2011-02-03 US disclosed
WO-2011012600-A1 RING-ANNULATED DIHYDROPYRROLO[2,L-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-03 WO disclosed
EP-0140307-A2 7-Oxabicycloheptane ethers E.R. Squibb & Sons, Inc. (US) 1985-05-08 EP disclosed
US-4513103-A 7-Oxabicycloheptane ethers useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-04-23 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 (1 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-20110028450-A1 Ring-annulated dihydropyrrolo[2,1-alpha]isoquinolines CATSPER1, QDPR, NASP TSHR 2975/4885KDM4E 2195/4885USP2 4420/4885

“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.