SCHEMBL7044936

SCHEMBL7044936

C[n+]1ccc(C=Cc2ccc(C=O)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
TERT O14746 1/20 0.44
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHAT P28329 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP2 O75604 3/20 0.41
NPC1 O15118 3/20 0.41
GPR55 Q9Y2T6 2/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 2/20 0.41
ALPG P10696 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL11398927 1.00 CYP2A6 (0.47) CYP2A6TERTRAB9AALDH1A1KDM4E
SCHEMBL7047125 0.94 CYP2A6 (0.48) CYP2A6TERTRAB9AKDM4ECYP2C19
SCHEMBL4688796 0.87 TERT (0.43) TERTRAB9AALDH1A1KDM4EHPGD
SCHEMBL372527 0.87 CHAT (0.61) TERTRAB9AALDH1A1KDM4ECHAT
Sulfuric Acid SCHEMBL7787999 0.86 CHAT (0.52) CYP2A6RAB9AALDH1A1KDM4EHPGD
SCHEMBL9777588 0.85 CYP2A6 (0.43) CYP2A6ALDH1A1KDM4EHPGDMEN1
SCHEMBL531126 0.85 MEN1 (0.63) TERTRAB9AALDH1A1MEN1KMT2A
SCHEMBL531127 0.85 MEN1 (0.63) TERTRAB9AALDH1A1MEN1KMT2A
SCHEMBL10968004 0.84 TERT (0.46) TERTRAB9AALDH1A1KDM4EHPGD
SCHEMBL6318506 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-20190091492-A1 PHOTO-CURABLE COSMETIC COMPOSITIONS L'OREAL (FR) 2019-03-28 US disclosed
US-8609074-B2 Methods for making up a keratinous substrate L'OREAL (FR) 2013-12-17 US disclosed
US-20130167859-A1 METHODS FOR MAKING UP A KERATINOUS SUBSTRATE L'OREAL S.A. (FR) 2013-07-04 US disclosed
US-20130171083-A1 PHOTO-CURABLE COSMETIC COMPOSITIONS L'OREAL S.A. (FR) 2013-07-04 US disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed
EP-0779553-B1 Polyvinyl alcohol base photosensitive resin, photosensitive composition, and method for pattern formation using the same TOYO GOSEI KOGYO KK (JP) 2002-05-02 EP disclosed
WO-1996029312-A1 STILBAZOLIUM SALT, AND PREPARATION AND USE THEREOF ORION ELECTRIC CO., LTD. (KR) 1996-09-26 WO disclosed
US-4564580-A SAPONIFIED VINYL ACETATE POLYMER REACTED WITH STRYLPYRIDINIUM OR S KOGYO GIJUTSUIN (JP) 1986-01-14 US disclosed
EP-0130804-A2 Photosensitive resin composition KOGYO GIJUTSUIN (JP) 1985-01-09 EP disclosed
US-4272620-A Polyvinyl alcohol-styrylpyridinium photosensitive resins and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed
US-4269941-A CONFINING THE ENZYME IN A MATRIX BY EXPOSING TO LIGHT AN AQUEOUS SOLUTION OF ENZYME AND PHOTOSENSITIVE CROSSLINKABLE RESIN COMPRISING A PARTIALLY SAPONIFIED POLYVINYL ACETATE POLYMER MODIFIED BY AN A-P-FORMYLSTYRYL/PYRIDINIUM COMPOUND AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-05-26 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 (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-20130171083-A1 PHOTO-CURABLE COSMETIC COMPOSITIONS KRT18, PLOD3, LCP1 CYP2A6 3959/4885TERT 265/4885RAB9A 3462/4885
US-20190091492-A1 PHOTO-CURABLE COSMETIC COMPOSITIONS KRT18, PLOD3, LCP1 CYP2A6 3959/4885TERT 265/4885RAB9A 3462/4885
US-20130167859-A1 METHODS FOR MAKING UP A KERATINOUS SUBSTRATE KRT18, DSG1, CUTA CYP2A6 4254/4885TERT 73/4885RAB9A 3821/4885

“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.