SCHEMBL29485684

SCHEMBL29485684

Brc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 1.00
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX12 P18054 1/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
DHODH Q02127 1/20 0.43

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
SCHEMBL154221 1.00 CYP2A6 (1.00) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL29002798 0.97 CYP2A6 (0.94) CYP2A6ALDH1A1KDM4EMEN1MAPT
Benzene SCHEMBL27861653 0.97 CYP2A6 (0.94) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL22909955 0.97 CYP2A6 (0.94) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL1120140 0.97 CYP2A6 (0.94) CYP2A6ALDH1A1KDM4EMEN1MAPT
Methyl Alcohol SCHEMBL28320856 0.92 CYP2A6 (0.85) CYP2A6ALDH1A1KDM4EMEN1MAPT
Formaldehyde SCHEMBL28823619 0.92 CYP2A6 (0.85) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL17849081 0.92 CYP2A6 (0.84) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL1304424 0.92 CYP2A6 (0.84) CYP2A6ALDH1A1KDM4EMEN1MAPT
SCHEMBL30792510 0.92 CYP2A6 (0.84) CYP2A6ALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4483434-A2 ELECTROCHEMICAL REDUCTION OF HALOGENATED COMPOUNDS COMPRISING A SULFUR PENTAHALIDE GROUP Massachusetts Institute of Technology (US) 2025-01-01 EP disclosed
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
WO-2024160834-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-08-08 WO disclosed
US-20240065096-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2024-02-22 US disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2023163756-A2 ELECTROCHEMICAL REDUCTION OF HALOGENATED COMPOUNDS COMPRISING A SULFUR PENTAHALIDE GROUP MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-08-31 WO disclosed
EP-4214355-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS Yeda Research and Development Co. Ltd (IL) 2023-07-26 EP disclosed
EP-4114548-A1 CARBON NANOTUBE SHEET FOR AIR OR WATER PURIFICATION Nanocomp Technologies, Inc. (US) 2023-01-11 EP disclosed
WO-2022269217-A1 OIL RESERVOIR TRACERS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-12-29 WO disclosed
US-20220302392-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2022-09-22 US disclosed
WO-2022146012-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2022-07-07 WO disclosed
WO-2022059010-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-24 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 (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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP CYP2A6 670/4885ALDH1A1 666/4885KDM4E 1054/4885
US-20240065096-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 CYP2A6 741/4885ALDH1A1 184/4885KDM4E 3667/4885

“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.