SCHEMBL50089

SCHEMBL50089

Oc1ccc2c[c]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ESR2 Q92731 12/20 0.46
ESR1 P03372 11/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B1 P14061 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B2 P37059 1/20 0.42
F12 P00748 1/20 0.41
MEN1 O00255 1/20 0.37

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
Betanaphthol SCHEMBL16236791 0.92 CYP1A2 (0.65) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL1451816 0.91 CYP1A2 (0.50) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL129202 0.77
SCHEMBL69484 0.77 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29364786 0.77 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL627219 0.77 CYP1A2 (0.77) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL3135465 0.76 LCK (0.34) CYP1A2CYP3A4ALOX15HIF1AHSD17B10
SCHEMBL70257 0.75
SCHEMBL559813 0.75
Hydroquinone SCHEMBL6689552 0.74 ESR2 (0.74) CYP1A2ESR2ESR1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820087-A Preparation method of bisphenol A diglycerol ether compound 中国石油化工股份有限公司 2024-04-05 CN claimed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US claimed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US claimed
EP-3523292-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS Dong-A Socio Holdings Co., Ltd. (KR) 2019-08-14 EP claimed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO claimed
CN-104744460-B β carbolines, dihydro β carbolines and tetrahydro-beta-carboline alcaloid-derivatives and preparation method thereof and the application in terms of preventing and treating plant virus, sterilization, desinsection 南开大学 2017-06-16 CN claimed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP claimed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US claimed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US claimed
EP-2576543-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2013-04-10 EP claimed
US-5004832-A Heating lactone precursor in protic polar or aprotic dipolar solvent in presence of substance with high dielectric constant ZAMBON S.P.A. (IT) 1991-04-02 US claimed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 EP claimed
EP-0380316-A2 Preparation of alpha-methylareneacetic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1990-08-01 EP claimed
EP-0175535-B1 MAGNETIC COMPOSITE POLYPLASTICS CO. LTD. (JP) 1990-08-01 EP claimed
US-4888433-A CHIRAL HALOGENATED KETALS WHICH UNDERGO STEREOSELECTIVE REARRANGEMENT ZAMBON, S.P.A. (IT) 1989-12-19 US claimed
US-4845243-A Intermediates and their use in the synthesis of organic compounds ZAMBON S.P.A. (IT) 1989-07-04 US claimed
US-4824970-A LACTONES, ANALGESICS ZAMBON SPA (IT) 1989-04-25 US claimed
EP-0272644-A2 Intermediates and their use in the synthesis of organic compounds ZAMBON S.p.A. (IT) 1988-06-29 EP claimed
US-4734507-A Optically active ketals, processes for their preparation and their use in the synthesis of alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1988-03-29 US claimed
EP-0227078-A1 Process for preparing (S)-alpha-methylarylacetic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-07-01 EP 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 (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-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 CYP1A2 1812/4885ESR2 744/4885ESR1 1067/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 CYP1A2 1346/4885ESR2 748/4885ESR1 950/4885
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 CYP1A2 101/4885ESR2 282/4885ESR1 529/4885

“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.