SCHEMBL4146550

SCHEMBL4146550

CCOC(=O)c1ccc(-c2ccccc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
HSD17B2 P37059 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.53
PTPN1 P18031 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51
CA14 Q9ULX7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL5699369 0.85 HSD17B2 (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2050621 0.84 EGFR (0.56) MAPTPTPN1CA1CA2SMN1; SMN2
SCHEMBL29788043 0.84 EGFR (0.56) MAPTPTPN1CA1CA2SMN1; SMN2
SCHEMBL2008250 0.83 CA12 (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3976152 0.82 NPC1 (0.60) MAPTCYP1A2HSD17B2MEN1KMT2A
SCHEMBL25300299 0.82 PDK2 (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7673736 0.81 TACR3 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8699645 0.81 CA12 (0.59) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2203809 0.81 CTSA (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27686787 0.81 L3MBTL1 (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 WO 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-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885CYP1A2 1427/4885CYP3A4 1623/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885CYP1A2 1427/4885CYP3A4 1623/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A MAPT 4370/4885CYP1A2 1485/4885CYP3A4 2107/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885CYP1A2 1427/4885CYP3A4 1623/4885

“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.