SCHEMBL89387

SCHEMBL89387

COCCCOc1cc(C)ccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
CYP2C9 P11712 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
CYP1A2 P05177 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TTR P02766 1/20 0.54
CYP2C8 P10632 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA1A P35348 1/20 0.54
PPARG P37231 1/20 0.54
HTR2B P41595 1/20 0.54
PPARA Q07869 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
L3MBTL1 Q9Y468 5/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5266458 0.92 TSHR (0.70) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL17124806 0.91 TSHR (0.57) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL13475556 0.90 TSHR (0.59) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL5929495 0.86 TSHR (0.67) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL10111041 0.85 TSHR (0.54) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL18644135 0.85 TSHR (0.54) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL20006078 0.83 TSHR (0.60) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2
SCHEMBL3373256 0.83 L3MBTL1 (0.67) CYP2C9TDP1CYP1A2SMN1; SMN2L3MBTL1
SCHEMBL13068898 0.83 ACHE (0.61) CYP2C9TDP1CYP1A2SMN1; SMN2L3MBTL1
SCHEMBL10241943 0.82 TSHR (0.64) TSHRCYP2C9TDP1CYP1A2SMN1; SMN2

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
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 WO disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (4 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 TSHR 4638/4885CYP2C9 1123/4885TDP1 4515/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885CYP2C9 211/4885TDP1 2580/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885CYP2C9 280/4885TDP1 2783/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 TSHR 3577/4885CYP2C9 2815/4885TDP1 4666/4885

“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.