SCHEMBL997736

SCHEMBL997736

CCC(Oc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A3 P47895 1/20 0.53
PPARG P37231 15/20 0.51
PPARA Q07869 15/20 0.51
DRD1 P21728 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1695379 0.89 ALDH1A3 (0.51) SMN1; SMN2ALDH1A3PPARGPPARADRD1
SCHEMBL2560941 0.87 PPARG (0.60) SMN1; SMN2ALDH1A3PPARGPPARA
SCHEMBL8980166 0.85 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARA
SCHEMBL2557160 0.85 ALDH1A3 (0.51) SMN1; SMN2ALDH1A3PPARGPPARADRD1
SCHEMBL1011104 0.83 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL2174551 0.83 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL11550284 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PPARGPPARA
SCHEMBL8935859 0.81 SMN1; SMN2 (0.70) SMN1; SMN2PPARGPPARA
SCHEMBL1745447 0.81 PPARG (0.66) SMN1; SMN2PPARGPPARA
SCHEMBL433427 0.81 SMN1; SMN2 (0.65) SMN1; SMN2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed
US-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 US disclosed
EP-1409489-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2004-04-21 EP disclosed
WO-2003000694-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-03 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 (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-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs GPER1, SHBG, GNRHR SMN1; SMN2 4319/4885ALDH1A3 1177/4885PPARG 2172/4885
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 SMN1; SMN2 3868/4885ALDH1A3 1258/4885PPARG 449/4885

“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.