SCHEMBL21494670

SCHEMBL21494670

Cc1ccc(CC2=CC=CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
DAO P14920 1/20 0.34
SRD5A2 P31213 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
AGXT P21549 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTR6 P50406 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PYCR1 P32322 1/20 0.30

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
SCHEMBL12815569 0.82 IDO1 (0.38) IDO1DAOSRD5A2CYP1A2CYP2A6
SCHEMBL3923571 0.81 CALM1 (0.42) DAOCYP1A2TAAR1ALDH1A1LMNA
SCHEMBL1115967 0.81 IDO1 (0.37) IDO1DAOSRD5A2CYP1A2CYP2A6
SCHEMBL21494751 0.80 DAO (0.41) IDO1DAOTAAR1HTR2CHTR2B
SCHEMBL30513711 0.80 DAO (0.41) IDO1DAOTAAR1HTR2CHTR2B
SCHEMBL30513712 0.79 CALM1 (0.35) NPSR1
SCHEMBL21494763 0.79 CALM1 (0.35) NPSR1
SCHEMBL7793896 0.78 IDO1 (0.41) IDO1DAOSRD5A2CYP1A2CYP2A6
SCHEMBL14036898 0.77 TAAR1 (0.38) IDO1SRD5A2TAAR1ALDH1A1PYCR1
SCHEMBL20863240 0.77 MEN1 (0.45) CYP1A2TAAR1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025214693-A1 CATALYST MATERIAL AND USE THEREOF FOR DEHYDROGENATING HYDROGEN CARRIER MATERIALS HYDROGENIOUS LOHC TECHNOLOGIES GMBH (DE) 2025-10-16 WO claimed
US-20260138121-A1 SUPPORTED NICKEL-COPPER CATALYST FOR DEHYDROGENATION AND HYDROGENATION OF LIQUID ORGANIC HYDROGEN CARRIERS CHEVRON U S A INC (US) 2026-05-21 US disclosed
US-12269018-B2 Platinum-sulfur-based shell catalyst, production and use thereof in the dehydrogenation of hydrocarbons CLARIANT INTERNATIONAL LTD (CH) 2025-04-08 US disclosed
WO-2025042907-A1 SULFIDATED NOBLE METAL ON METAL DOPED SUPPORT AS A HYDROGENATION AND DEHYDROGENATION CATALYST CHEVRON U.S.A. INC. (US) 2025-02-27 WO disclosed
US-20250065311-A1 SULFIDATED NOBLE METAL ON METAL DOPED SUPPORT AS A HYDROGENATION AND DEHYDROGENATION CATALYST CHEVRON USA INC (US) 2025-02-27 US disclosed
CN-111989156-B Shell catalyst based on platinum-sulphur, production and use in hydrocarbon dehydrogenation 科莱恩国际有限公司 2023-08-11 CN disclosed
US-20210077984-A1 PLATINUM-SULFUR-BASED SHELL CATALYST, PRODUCTION AND USE THEREOF IN THE DEHYDROGENATION OF HYDROCARBONS CLARIANT INTERNATIONAL LTD (CH) 2021-03-18 US disclosed
EP-3781307-A1 PLATINUM-SULFUR-BASED SHELL CATALYST, PRODUCTION AND USE THEREOF IN THE DEHYDROGENATION OF HYDROCARBONS Clariant International Ltd (CH) 2021-02-24 EP disclosed
CN-111989156-A Platinum-sulfur based shell catalysts, their production and use in the dehydrogenation of hydrocarbons 科莱恩国际有限公司 2020-11-24 CN disclosed
WO-2019201706-A1 PLATINUM-SULFUR-BASED SHELL CATALYST, PRODUCTION AND USE THEREOF IN THE DEHYDROGENATION OF HYDROCARBONS CLARIANT INTERNATIONAL LTD (CH) 2019-10-24 WO 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 (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-20260138121-A1 SUPPORTED NICKEL-COPPER CATALYST FOR DEHYDROGENATION AND HYDROGENATION OF LIQUID ORGANIC HYDROGEN CARRIERS NUDC, SOD1, TIMM10 IDO1 858/4885DAO 3352/4885SRD5A2 1211/4885

“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.