SCHEMBL806473

SCHEMBL806473

Cc1ccc(C)c2occc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
NQO1 P15559 1/20 0.33
POR P16435 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP3A4 P08684 3/20 0.32
HPGD P15428 3/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
KCNA3 P22001 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL31120928 1.00 CYP1A2 (0.39) CYP1A2NQO1PORCYP2A6CYP3A4
SCHEMBL298025 0.81 CYP1A2 (0.33) CYP1A2HTR2A
SCHEMBL10455673 0.81 OPRK1 (0.38) CYP1A2CYP3A4KDM4EKCNA3ALDH1A1
SCHEMBL16844564 0.81 HTR2A (0.35) NQO1PORALDH1A1HTR2AHTR2C
SCHEMBL24819187 0.81 CYP3A4 (0.33) CYP3A4HPGDKDM4EKCNA3ALDH1A1
SCHEMBL24752718 0.81 CYP3A4 (0.33) CYP1A2CYP3A4HPGDKDM4EALDH1A1
SCHEMBL5153438 0.81 HTR2A (0.35) CYP1A2NQO1PORALDH1A1HTR2A
SCHEMBL6948759 0.81 RARA (0.33) CYP1A2CYP3A4HPGDCCR1CCR5
SCHEMBL18876068 0.81 RARA (0.33) CYP1A2CYP2A6CYP3A4HPGDALDH1A1
SCHEMBL15280201 0.78 HSD17B10 (0.36) CYP1A2NQO1PORPOLBKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233842-B1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARB) AGONISTS KING S COLLEGE LONDON (GB) 2025-03-26 EP disclosed
EP-4129989-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2023-02-08 EP disclosed
US-11401265-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON 2022-08-02 US disclosed
US-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 US disclosed
EP-3971260-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-03-23 EP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
EP-3247701-B1 ANTHELMINTIC COMPOUNDS, COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-09-22 EP disclosed
CN-108219945-B Flower water essential oil and multi-fragrance flower water essential oil 河南科技大学 2021-07-30 CN disclosed
CN-108424813-B Compound salt and compound salt solution for flower aromatic water and flower aromatic water extraction 河南科技大学 2021-07-27 CN disclosed
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US disclosed
WO-2004069840-A2 PRODUCTION OF TETRAHYDROQUINOLINE BENZOFURANS Grünenthal GmbH (DE) 2004-08-19 WO disclosed
US-6358995-B1 AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. EISAI CO., LTD. (JP) 2002-03-19 US disclosed
US-6355669-B1 THERAPY FOR KIDNEY DISEASE USING BENZOIC ACID COMPOUND EISAI CO., LTD. (JP) 2002-03-12 US disclosed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
US-6121309-A SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM EISAI CO., LTD. (JP) 2000-09-19 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-1025857-A1 RETINOIC ACID AGONISTS AS PREVENTIVE AND THERAPEUTIC AGENTS FOR NEPHRITIS Eisai Co., Ltd. (JP) 2000-08-09 EP disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 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 (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-11401265-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB CYP1A2 1305/4885NQO1 625/4885POR 2704/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 CYP1A2 103/4885NQO1 840/4885POR 367/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885NQO1 79/4885POR 1235/4885
US-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 CYP1A2 1185/4885NQO1 1396/4885POR 856/4885

“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.