SCHEMBL3842072

SCHEMBL3842072

CCC(C)c1ccc(N=C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL10856743 0.83 CYP3A4 (0.47) CYP2C9TSHRCYP3A4TRPA1GABRA1
SCHEMBL1900349 0.82 CYP3A4 (0.50) CYP2C9TSHRCYP3A4TRPA1GABRA1
SCHEMBL126346 0.81 CYP3A4 (0.55) CYP2C9TSHRCYP3A4TRPA1MAPK1
SCHEMBL9181988 0.81 CYP3A4 (0.46) CYP2C9TSHRCYP3A4TRPA1GABRA1
SCHEMBL6393648 0.81 CYP2C9 (0.49) CYP2C9TSHRALDH1A1USP2GAA
SCHEMBL30295346 0.79 CYP3A4 (0.50) CYP2C9TSHRCYP3A4TRPA1GABRA1
SCHEMBL131853 0.79 CYP3A4 (0.50) CYP2C9TSHRCYP3A4ALDH1A1TRPA1
SCHEMBL141743 0.79 CYP3A4 (0.50) CYP2C9TSHRCYP3A4TRPA1GABRA1
SCHEMBL9185663 0.78 CYP3A4 (0.46) TSHRCYP3A4TRPA1GABRA1GABRB2
SCHEMBL28470740 0.78 CYP3A4 (0.46) TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-10174173-B2 Polymerized in-situ hybrid solid ion-conductive compositions Blue Current, Inc. (US) 2019-01-08 US disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-7459579-B2 Method of separating optically active dihydroxy-heptenoic acid esters DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-12-02 US disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20060081522-A1 Separating agent for optical isomers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-20 US disclosed
US-20060079708-A1 Method of separating optically active dihydroxy-heptenoic acid esters DAICEL CHEMICAL INDUSTRIES, LTD. 2006-04-13 US disclosed
EP-1637542-A1 SEPARATORY AGENT FOR OPTICAL ISOMER DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2006-03-22 EP disclosed
EP-1623976-A1 METHOD FOR SEPARATION OF OPTICALLY ACTIVE DIHYDROXY- HEPTENOIC ACID ESTERS DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2006-02-08 EP 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 (2 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-20060079708-A1 Method of separating optically active dihydroxy-heptenoic acid esters HDHD5, APEH, HCAR3 CYP2C9 465/4885TSHR 2774/4885CYP3A4 1253/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 CYP2C9 2327/4885TSHR 1728/4885CYP3A4 3044/4885

“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.