SCHEMBL456953

SCHEMBL456953

Cc1cc(O)c(C)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 8/20 0.55
MAPT P10636 4/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 2/20 0.55
HIF1A Q16665 2/20 0.55
PKM P14618 2/20 0.55
CYP2D6 P10635 1/20 0.55
G6PD P11413 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
CCR6 P51684 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CASP1 P29466 2/20 0.48

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
SCHEMBL29752049 1.00 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL10256689 0.89 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL29673743 0.89 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL5963088 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL3077884 0.86 ALDH1A1 (0.50) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL19307999 0.83 ALDH1A1 (0.48) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL5884188 0.83 CYP3A4 (0.52) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL29721080 0.83 TSHR (0.60) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL94645 0.83 TSHR (0.60) CYP3A4TSHRMAPK1ALDH1A1MAPT
SCHEMBL15449430 0.83 ALDH1A1 (0.55) CYP3A4TSHRMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116695435-A Carbon fiber, preparation method thereof and composite material containing carbon fiber 江苏君澄空间科技有限公司 2023-09-05 CN claimed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US claimed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 US claimed
WO-2013025939-A2 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-21 WO claimed
US-7652089-B2 Nanocomposite, nanocomposite electrolyte membrane and fuel using the same SAMSUNG SDI CO., LTD. (KR) 2010-01-26 US claimed
US-7419656-B2 Mixture containing phenylenediamine compound KAO CORPORATION (JP) 2008-09-02 US claimed
US-20080176126-A1 ELECTROLYTE MEMBRANE COMPRISING NANOCOMPOSITE ION COMPLEX, MANUFACTURING METHOD THEREOF, AND FUEL CELL INCLUDING THE SAME SAMSUNG SDI CO, LTD. (KR) 2008-07-24 US claimed
US-20070072982-A1 Nanocomposite, nanocomposite electrolyte membrane and fuel using the same SAMSUNG SDI CO., LTD. (KR) 2007-03-29 US claimed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-4865619-A Use, as a coupler, of 2,4-diamino-1,3-dimethoxybenzene or one of its salts, in combination with oxidation dye precursors, for dyeing human hair, hair dyeing composition containing the said coupler and process for preparing the said coupler L'OREAL (FR) 1989-09-12 US claimed
US-4865618-A New chloro-meta-phenylenediamines, their use as couplers in the oxidation dyeing of keratinous fibres, dyeing compositions for hair containing these compounds and dyeing process using the said L'OREAL (FR) 1989-09-12 US claimed
EP-0295474-A1 Chlorometaphenylenediamines, their use as coupling agents in oxydation colouring of keratinic fibres, colourity compositions for hair containing these compounds and colouring process using these compositions L'OREAL (FR) 1988-12-21 EP claimed
EP-0294669-A1 Metaphenylendiamines, process for their preparation, intermediate compounds and use of these metaphenylendiamines as couplers in oxydative colouring of keratinic fibres especially of human hair L'OREAL (FR) 1988-12-14 EP claimed
US-4692166-A OXIDATION COLOR DYES USED WITH DIAMINOBENZENES OR AMINO PHENOLS; MINIMIZATION OF RED HUE L'OREAL (FR) 1987-09-08 US claimed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US claimed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 US claimed
US-4200432-A HAIR DYES L'OREAL (FR) 1980-04-29 US claimed
US-3970459-A Process for developing a direct reversal silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1976-07-20 US claimed
US-3948596-A Oxidation dye for keratinic fibers containing 2-halo-5-acetaminophenol as a coupler SOCIETE ANONYME DITE: L'OREAL (FR) 1976-04-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR PLAUR, PLAU, PLG CYP3A4 4308/4885TSHR 1873/4885MAPK1 1646/4885

“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.