SCHEMBL1712504

SCHEMBL1712504

N#CC(C=C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
CYP2D6 P10635 2/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNN4 O15554 1/20 0.31
KCNA3 P22001 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5047839 0.80 TSHR (0.39) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL11730432 0.71 CYP2D6 (0.42) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL11730440 0.71 CYP2D6 (0.42) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL27771627 0.70 KDM4E (0.40) CYP2D6TSHRALDH1A1KCNN4HTT
SCHEMBL27879971 0.67 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1KCNN4CYP1A2
SCHEMBL11378332 0.67 CYP2D6 (0.35) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL11841590 0.67 ATM (0.40) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL11841587 0.67 ATM (0.40) ATMCYP2D6DRD2DRD4OPRM1
Water SCHEMBL28284372 0.67 CYP1A2 (0.42) CYP2D6TSHRALDH1A1KCNN4HTT
SCHEMBL1444134 0.66 ATM (0.45) ATMCYP2D6DRD2DRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160734-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2021-11-02 US disclosed
EP-2720666-B1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
US-10111821-B2 Methods and compositions for administering a specific wavelength phototherapy APPLIED BIOLOGY, INC. (US) 2018-10-30 US disclosed
US-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2017-11-02 US disclosed
US-9675531-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2017-06-13 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-9271912-B2 Personal care compositions comprising a pH tuneable gellant and methods of using THE PROCTER & GAMBLE COMPANY (US) 2016-03-01 US disclosed
WO-2015103012-A1 METHODS AND COMPOSITIONS FOR ADMINISTERING A SPECIFIC WAVELENGTH PHOTOTHERAPY APPLIED BIOLOGY, INC. (US) 2015-07-09 WO disclosed
US-9028849-B2 Compositions and methods for tinting keratin material ELC MANAGEMENT LLC (US) 2015-05-12 US disclosed
US-20140154198-A1 Compositions and Methods for Tinting Keratin Material ELC MANAGEMENT, LLC (US) 2014-06-05 US disclosed
EP-2344112-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2011-07-20 EP disclosed
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-05-27 US disclosed
US-20100104610-A1 Color cosmetics comprising a random terpolymer BASF SE (DE) 2010-04-29 US disclosed
WO-2010043588-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-04-22 WO disclosed
EP-2152230-A2 SUNSCREEN COMPOSTIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-02-17 EP disclosed
EP-2129363-A2 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A SELECT COPOLYMER BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122516-A2 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A SELECT COPOLYMER BASF SE (CH) 2008-10-16 WO disclosed
WO-2008122517-A2 SUNSCREEN COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (CH) 2008-10-16 WO disclosed
US-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water DUEVA-KOGANOV OLGA V 2008-10-09 US disclosed
US-20080247975-A1 Sunscreen and personal care compositions comprising a select copolymer CIBA CORP. 2008-10-09 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 (7 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-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water CUTA, POLR1C, MSH6 ATM 1384/4885CYP2D6 2180/4885DRD2 3254/4885
US-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES POLR1C, PLOD3, C9 ATM 2095/4885CYP2D6 4611/4885DRD2 3554/4885
US-11160734-B2 Personal care compositions comprising shaped abrasive particles POLR1C, PLOD3, C9 ATM 2095/4885CYP2D6 4611/4885DRD2 3554/4885
US-20140154198-A1 Compositions and Methods for Tinting Keratin Material KRT18, MUC1, GRN ATM 246/4885CYP2D6 4856/4885DRD2 4238/4885
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER MITF, TYR, MSH6 ATM 2609/4885CYP2D6 1200/4885DRD2 2358/4885
US-20080247975-A1 Sunscreen and personal care compositions comprising a select copolymer MSH6, CUTA, ERCC5 ATM 1651/4885CYP2D6 3161/4885DRD2 4239/4885
US-20100104610-A1 Color cosmetics comprising a random terpolymer CUTA, TYR, MSH6 ATM 2657/4885CYP2D6 2396/4885DRD2 2812/4885

“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.