SCHEMBL403303

SCHEMBL403303

CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
TAAR1 Q96RJ0 2/20 0.56
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.47
CHKA P35790 2/20 0.47
CYP2D6 P10635 1/20 0.47
BCL2 P10415 1/20 0.47
MAPT P10636 2/20 0.46
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2914914 1.00 TP53 (0.68) TP53TAAR1KCNH2ALDH1A1IDO1
Water SCHEMBL9719785 0.97 TP53 (0.65) TP53TAAR1KCNH2ALDH1A1IDO1
Ethyne SCHEMBL28573478 0.95 TP53 (0.62) TP53TAAR1KCNH2ALDH1A1IDO1
SCHEMBL27543363 0.93 TP53 (0.59) TP53TAAR1KCNH2ALDH1A1IDO1
Ethylbenzene SCHEMBL28491033 0.92 TP53 (0.82) TP53TAAR1KCNH2ALDH1A1TSHR
Biphenyl SCHEMBL28799977 0.92 TP53 (0.82) TP53TAAR1KCNH2ALDH1A1LMNA
SCHEMBL29155896 0.91 TP53 (0.56) TP53TAAR1KCNH2ALDH1A1IDO1
Bicarbonate SCHEMBL27817580 0.91 ABCC4 (0.59) TP53ALDH1A1ABCC4LMNAGAA
Boric Acid SCHEMBL30874434 0.91 TP53 (0.56) TP53TAAR1KCNH2ALDH1A1IDO1
Ether SCHEMBL9719783 0.89 TP53 (0.54) TP53TAAR1KCNH2ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US claimed
WO-2023088095-A1 7-FLUORO-5-SUBSTITUTED TRYPTAMINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 宁波大学 2023-05-25 WO claimed
CN-115784965-A 7-fluoro-5-substituted tryptamine compound and preparation method and application thereof 宁波大学 2023-03-14 CN claimed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US claimed
CN-114921801-A Method for directly hydroxylating benzylic carbon by pairing electrochemical series reaction 西南大学 2022-08-19 CN claimed
CN-114914278-A Display panel, preparation method thereof and display device 合肥京东方卓印科技有限公司 2022-08-16 CN claimed
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-05-31 US claimed
CN-110872206-A Reduction coupling method for synthesizing 1, 1-difluoroethyl aromatic compound 山东理工大学 2020-03-10 CN claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US claimed
CN-106939177-A Gasoline cleaning agent, preparation method and its application method with cleaning function 深圳市沃华汽车用品有限公司 2017-07-11 CN claimed
US-5171917-A Ethylation of benzene, toluene, ethylbenzene or a mixture of benzene and ethylbenzene with 1,2,4-triethylbenezene, tetra- or pentaethylbenzene in the presence of an acid catalys catalyst AMOCO CORPORATION (US) 1992-12-15 US claimed
US-5081758-A Impregnation with aromatic hydrocarbon mixture NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-21 US claimed
US-5081757-A ELECTRICAL INSULATING OIL COMPOSITION AND CAPACITORS PREPARED THEREWITH NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-21 US claimed
US-5017733-A Aromatic hydrocarbons NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-05-21 US claimed
US-5015793-A Electrical insulating oil composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-05-14 US claimed
US-4750083-A MIXTURES OF ETHYL BIPHENYLS AND ISOPROPYL BIPHENYLS; LOW TEMPERATURE PROPERTIES NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1988-06-07 US claimed
EP-0262454-A2 Electrical insulating oil composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-04-06 EP claimed
EP-0262455-A2 Electrical insulating oil composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-04-06 EP claimed
EP-0259798-A2 Electrical insulating oil composition NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1988-03-16 EP claimed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 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 (4 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-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TP53 304/4885TAAR1 2485/4885KCNH2 4408/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TP53 304/4885TAAR1 2485/4885KCNH2 4408/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 TP53 4504/4885TAAR1 355/4885KCNH2 153/4885
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element TYR, LEF1, EFNA1 TP53 4504/4885TAAR1 355/4885KCNH2 153/4885

“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.