SCHEMBL4374968

SCHEMBL4374968

CCC(N)(C(=O)O)c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KIF11 P52732 7/20 0.43
CYP2C19 P33261 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL27468704 0.84 KIF11 (0.43) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL305912 0.82 CYP1A2 (0.70) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL2089243 0.82 CYP1A2 (0.70) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL2089245 0.82 CYP1A2 (0.70) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL25398908 0.82 MEN1 (0.53) CYP1A2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL27843752 0.80 CYP1A2 (0.68) CYP1A2MEN1KMT2AKIF11CYP2C19
Water SCHEMBL8329268 0.80 CYP1A2 (0.68) CYP1A2MEN1KMT2AKIF11CYP2C19
Hydrochloric Acid SCHEMBL1630962 0.80 CYP1A2 (0.68) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL11732389 0.80 MEN1 (0.54) CYP1A2MEN1KMT2AKIF11CYP3A4
SCHEMBL27338628 0.79 MEN1 (0.71) CYP1A2MEN1KMT2AKIF11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390343-B1 NOVEL RETINOID DERIVATIVES AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO LTD (KR) 2009-10-14 EP disclosed
US-7166744-B2 Retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds CHEBIGEN CO., LTD. (KR) 2007-01-23 US disclosed
EP-1390343-A4 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO LTD (KR) 2005-06-22 EP disclosed
EP-1390343-A1 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS Chebigen Co., Ltd. (KR) 2004-02-25 EP disclosed
US-20030171339-A1 Novel retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds CHEBIGEN CO., LTD. (KR) 2003-09-11 US disclosed
WO-2002096857-A1 NOVEL RETINOID DERIVATIVES AND METHODS FOR PRODUCING SAID COMPOUNDS AND AN ANTI-CANCER PHARMACEUTICAL COMPOSITION COMPRISING SAID COMPOUNDS CHEBIGEN CO., LTD. (KR) 2002-12-05 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 (1 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-20030171339-A1 Novel retinoid derivatives and methods for producing said compounds and anti-cancer pharmaceutical composition comprising said compounds RXRB, RARB, RXRA CYP1A2 771/4885MEN1 2083/4885KMT2A 3305/4885

“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.