SCHEMBL3205801

SCHEMBL3205801

O=C(O)c1[nH]c2ccccc2c1CO

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
FOLH1 Q04609 1/20 0.69
MCL1 Q07820 9/20 0.60
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALB P02768 1/20 0.53
BCL2 P10415 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL29621784 1.00 KDM4E (0.69) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL13701155 0.87 KDM4E (0.71) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL5955774 0.86 ALDH1A1 (0.74) KDM4EALDH1A1FOLH1MCL1HTT
SCHEMBL27616415 0.84 KDM4E (0.67) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL7463580 0.84 KDM4E (0.71) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL2002751 0.84 FOLH1 (0.71) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL1093663 0.84 KDM4E (0.67) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL6756295 0.83 KDM4E (0.65) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL3069354 0.81 KDM4E (0.68) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL9449744 0.81 KDM4E (0.63) KDM4EALDH1A1FOLH1MCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666897-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2010-02-23 US disclosed
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents SRI INTERNATIONAL (US) 2009-01-22 US disclosed
EP-1530572-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2008-10-15 EP disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7078427-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-07-18 US disclosed
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-06-15 US disclosed
EP-1623985-A2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventative agents Sri International (US) 2006-02-08 EP disclosed
EP-1530572-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS Sri International (US) 2005-05-18 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
WO-2004018475-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2004-03-04 WO disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 US disclosed
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed
EP-0396124-A2 Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders G.D. Searle & Co. (US) 1990-11-07 EP 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 (4 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-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, CCND3, FOXM1 KDM4E 3180/4885ALDH1A1 200/4885FOLH1 1455/4885
US-20090023796-A1 Analogs of Indole-3-Carbinol Metabolites as Chemotherapeutic and Chemopreventive Agents IDO1, CCND3, CCNA1 KDM4E 2301/4885ALDH1A1 216/4885FOLH1 1372/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 KDM4E 3192/4885ALDH1A1 134/4885FOLH1 1141/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 KDM4E 3192/4885ALDH1A1 134/4885FOLH1 1141/4885

“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.