SCHEMBL68523

SCHEMBL68523

O=C(O)c1ccc2sc3ccc(C(=O)O)cc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STS P08842 1/20 0.49
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46

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
SCHEMBL30445625 1.00 CYP1A2 (0.53) CYP1A2NPC1RAB9ASMN1; SMN2STS
SCHEMBL3111619 0.90 CYP1A2 (0.67) CYP1A2NPC1RAB9ASMN1; SMN2STS
SCHEMBL30839928 0.90 CYP1A2 (0.67) CYP1A2NPC1RAB9ASMN1; SMN2STS
Hydrochloric Acid SCHEMBL11595018 0.90 CYP1A2 (0.50) CYP1A2NPC1RAB9ASMN1; SMN2STS
SCHEMBL28453627 0.90 STS (0.49) CYP1A2NPC1RAB9ASMN1; SMN2STS
SCHEMBL31083660 0.86 KDM4E (0.51) CYP1A2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL24735751 0.84 KDM4E (0.49) CYP1A2TSHRTP53KDM4ELMNA
SCHEMBL28456827 0.83 STS (0.45) CYP1A2NPC1RAB9ASMN1; SMN2STS
SCHEMBL30414825 0.83 KDM4E (0.46) CYP1A2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL30414903 0.82 KDM4E (0.48) CYP1A2NPC1RAB9ASMN1; SMN2TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 EP disclosed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 CN disclosed
US-11559474-B2 Hair lightening compositions and methods of use L'OREAL (FR) 2023-01-24 US disclosed
WO-2022255235-A1 METAL ORGANIC STRUCTURE, GAS-STORING AGENT COMPRISING SAME, AND GAS STORAGE METHOD USING SAME 学校法人立教学院 2022-12-08 WO disclosed
WO-2022047081-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE HENRY DEREK (US) 2022-03-03 WO disclosed
WO-2018119500-A1 VISCOELASTIC COSMETIC COMPOSITIONS L'OREAL (FR) 2018-07-05 WO disclosed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 US disclosed
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-3952014-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1976-04-20 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US 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 (5 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP1A2 2262/4885NPC1 4583/4885RAB9A 3169/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 CYP1A2 3261/4885NPC1 4765/4885RAB9A 4090/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB CYP1A2 4735/4885NPC1 3829/4885RAB9A 4503/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA CYP1A2 1104/4885NPC1 3993/4885RAB9A 4824/4885
US-11559474-B2 Hair lightening compositions and methods of use TYR, ALAD, CYBA CYP1A2 4124/4885NPC1 4854/4885RAB9A 4315/4885

“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.