SCHEMBL4404238

SCHEMBL4404238

COc1cc(C(=O)O)c(O)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MCL1 Q07820 3/20 0.41
▸ BCL2 P10415 2/20 0.41
▸ CDC25B P30305 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39

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
SCHEMBL31355236 0.83 SMN1; SMN2 (0.52) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL5080340 0.81 CA1 (0.58) THRATHRBHPGDALDH1A1TSHR
SCHEMBL40170 0.78 ALDH1A1 (0.48) THRATHRBHPGDALDH1A1KDM4E
SCHEMBL18341497 0.78 NPC1 (0.53) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL12546032 0.77 SMN1; SMN2 (0.56) HPGDALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL7290818 0.77 ALDH1A1 (0.51) HPGDALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL31336165 0.77 ALDH1A1 (0.51) HPGDALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL4400139 0.77 HMGB1 (0.55) HPGDALDH1A1KDM4EPOLBMAPT
SCHEMBL22005119 0.77 GABRA1 (0.51) THRATHRBHPGDALDH1A1KDM4E
SCHEMBL212716 0.77 FABP3 (0.60) THRATHRBHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 — — US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 — — US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 — — US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 — — US disclosed
CN-1148367-C Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same ��ѧ�о���Ӧ����ѯ��˾ 2004-05-05 — — CN disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 — — US disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 — — CN 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 THRA 3811/4885THRB 3107/4885HPGD 70/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 THRA 3043/4885THRB 3901/4885HPGD 605/4885

“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.

Send feedback