SCHEMBL5889548

SCHEMBL5889548

Cn1c(C(=O)O)cc2cc(C(=O)O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
HSD17B10 Q99714 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
MCL1 Q07820 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.64
GPR35 Q9HC97 1/20 0.59
SRD5A2 P31213 2/20 0.54
GFER P55789 2/20 0.54
PHGDH O43175 2/20 0.50
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HCAR3 P49019 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
SRD5A1 P18405 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
SCHEMBL10022665 0.88 MCL1 (0.63) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL28264529 0.84 MCL1 (0.61) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL5599830 0.82 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL2001537 0.82 HSD17B10 (0.68) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL30547707 0.82 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL3987986 0.82 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL30622485 0.82 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL12392923 0.82 MAPT (0.60) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL30547738 0.81 HPGD (0.58) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL6969376 0.81 HSD17B10 (0.66) KDM4EHSD17B10ALDH1A1HPGDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885ALDH1A1 1150/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 KDM4E 3560/4885HSD17B10 2227/4885ALDH1A1 1150/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 KDM4E 1515/4885HSD17B10 1184/4885ALDH1A1 597/4885

“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.