SCHEMBL4373726

SCHEMBL4373726

CCC(C(=O)O)c1cc(N)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 2/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
KDR P35968 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 0.44
CASP7 P55210 1/20 0.44
HSPE1 P61604 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
SCHEMBL3460224 0.83 HSD17B10 (0.42) ALDH1A1CYP3A4ALOX15HSD17B10MEN1
SCHEMBL28032461 0.81 MAPT (0.42) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL1589867 0.79 AKR1C3 (0.46) PTGS2CPN1CPB2AKR1C3AKR1C2
SCHEMBL30092945 0.78 PRKCI (0.39) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL5382824 0.77 RORC (0.58) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL30483161 0.75 TSHR (0.57) ALDH1A1KDM4EHPGDHSD17B10PTGS2
SCHEMBL6773227 0.75 TSHR (0.57) ALDH1A1KDM4EHPGDHSD17B10PTGS2
SCHEMBL4071095 0.75 TSHR (0.57) ALDH1A1KDM4EHPGDHSD17B10PTGS2
SCHEMBL17774722 0.75 PRKCI (0.46) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL17774725 0.75 KDM4E (0.50) ALDH1A1KDM4ECYP3A4HPGDALOX15

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 ALDH1A1 22/4885KDM4E 2832/4885CYP3A4 1493/4885

“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.