SCHEMBL1500129

SCHEMBL1500129

Cc1coc2cc(O)ccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 8/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 7/20 0.68
USP2 O75604 2/20 0.68
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
MAOB P27338 3/20 0.61
TP53 P04637 2/20 0.61
CYP2D6 P10635 2/20 0.61
MAPT P10636 2/20 0.61
MAOA P21397 2/20 0.61
CYP2C19 P33261 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
CA12 O43570 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61

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
SCHEMBL1400551 0.85 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL11412845 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL7600910 0.81 MAPT (0.50) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL29036860 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL18235037 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2108389 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2349506 0.78 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8161550 0.78 XDH (0.78) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL27869009 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL28902194 0.77 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828407-B2 Water soluble and activable phenolic derivatives with dermocosmetic and therapeutic applications and process for preparing said derivatives LIBRAGEN (FR) 2017-11-28 US disclosed
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES LIBRAGEN (FR) 2014-03-27 US disclosed
EP-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP disclosed
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
WO-2007144368-A2 WATER SOLUBLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS LIBRAGEN (FR) 2007-12-21 WO disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
EP-0699197-B1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INT (ES) 2000-06-07 EP disclosed
US-5643927-A METHOD OF PREPARATION BY DEHYDROCHLORINATION BETWEEN 4-(P-FLUOROBENZOYLPIPERIDINE WITH CHLOROALKYLCHROMEN-4-ONE FERRER INTERNACIONAL, S.A. (ES) 1997-07-01 US disclosed
EP-0699197-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1996-03-06 EP disclosed
WO-1995025733-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1995-09-28 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 KDM4E 3735/4885ALDH1A1 1200/4885HPGD 923/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 KDM4E 4172/4885ALDH1A1 1033/4885HPGD 918/4885
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES UGGT1, TYR, G6PD KDM4E 949/4885ALDH1A1 1534/4885HPGD 397/4885

“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.