SCHEMBL2803303

SCHEMBL2803303

COc1ccc(OC)c(-c2ccc(C(=O)O)cc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 3/20 0.50
RAB9A P51151 1/20 0.50
TTR P02766 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL2772224 0.90 KDM4E (0.57) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL2772885 0.87 KMT2A (0.56) MAPK1GAAKDM4EALDH1A1CA1
SCHEMBL6715887 0.87 KDM4E (0.57) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL2772787 0.85 HTT (0.49) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL2773780 0.82 AKR1C3 (0.62) LMNAMAPK1KDM4EALDH1A1CA1
SCHEMBL27902481 0.81 LMNA (0.61) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL23877802 0.81 LMNA (0.53) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL4601701 0.81 TPMT (0.56) LMNAMAPK1GAACA1CA2
SCHEMBL2039734 0.80 ALDH1A1 (0.63) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL29788029 0.80 ALDH1A1 (0.63) LMNAMAPK1GAAKDM4EALDH1A1

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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 (2 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 LMNA 4578/4885MAPK1 2507/4885GAA 3886/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R LMNA 3198/4885MAPK1 3998/4885GAA 2559/4885

“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.