SCHEMBL5357579

SCHEMBL5357579

CCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CYP17A1 P05093 1/20 0.51
SRD5A2 P31213 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 2/20 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
SCHEMBL20491470 0.92 NPC1 (0.52) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL4894905 0.90 ALDH1A1 (0.46) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL31277051 0.90 ALDH1A1 (0.64) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL14447667 0.90 ALDH1A1 (0.64) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL27318412 0.86 ALDH1A1 (0.48) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL6906334 0.86 CYP1A2 (0.48) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL29737067 0.86 CYP1A2 (0.48) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL21758076 0.85 RAB9A (0.52) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL7195015 0.84 GPR84 (0.60) ALDH1A1TSHRATMNPSR1NPC1
SCHEMBL598903 0.84 TSHR (0.58) ALDH1A1TSHRATMNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122133-A1 Selective Transition Metal Catalyzed Deuterium Incorporation Into Alkyne and Alkene Functionalities MARQUETTE UNIVERSITY 2025-04-17 US disclosed
CN-115621528-B Pre-lithiation method of battery cathode, pre-lithiated cathode plate and lithium ion battery 比亚迪股份有限公司 2024-10-29 CN disclosed
CN-114195611-B Synthesis method of diaryl methane compound 合肥工业大学 2024-05-28 CN disclosed
EP-4237144-A1 SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES Marquette University (US) 2023-09-06 EP disclosed
CN-115621528-A Pre-lithiation method of battery negative electrode, pre-lithiation negative electrode sheet and lithium ion battery 比亚迪股份有限公司 2023-01-17 CN disclosed
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-05 US disclosed
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-05 US disclosed
EP-4105222-A1 IRIDIUM COMPLEX COMPOUND, IRIDIUM COMPLEX COMPOUND-CONTAINING COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND PRODUCTION METHOD THEREFOR, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE Mitsubishi Chemical Corporation (JP) 2022-12-21 EP disclosed
CN-115135662-A Iridium complex compound, composition containing iridium complex compound, organic electroluminescent element and method for producing same, organic EL display device, and organic EL lighting device 三菱化学株式会社 2022-09-30 CN disclosed
WO-2022094420-A1 SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES MARQUETTE UNIVERSITY (US) 2022-05-05 WO disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5191132-A CYCLOPENTADIENE TYPE COMPOUNDS AND METHOD FOR MAKING PHILLIPS PETROLEUM COMPANY (US) 1993-03-02 US disclosed
CN-1068829-A Organometallic fluorenyl compounds and preparation thereof and application PHILLIPS PETROLEUM CO (US) 1993-02-10 CN disclosed
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP disclosed
CN-1066440-A Cyclopeutadiene type compounds and preparation method thereof PHILLIPS PETROLEUM CO (US) 1992-11-25 CN disclosed
EP-0512554-A2 Cyclopetadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1992-11-11 EP disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
US-3939276-A ANTHRAQUINONES, ASTHMA, ANTIALLERGENS BURROUGHS WELLCOME CO. (US) 1976-02-17 US 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-20250122133-A1 Selective Transition Metal Catalyzed Deuterium Incorporation Into Alkyne and Alkene Functionalities HDHD5, DDT, AHR ALDH1A1 782/4885TSHR 2408/4885ATM 3079/4885
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator INF2, EMC2, DRD4 ALDH1A1 989/4885TSHR 1733/4885ATM 2368/4885

“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.