SCHEMBL254340

SCHEMBL254340

CC(C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
TYR P14679 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX5 P09917 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
PYCR1 P32322 1/20 0.42
IDO1 P14902 2/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MGLL Q99685 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
Magnesium SCHEMBL31125581 0.97 CYP2A6 (0.47) CYP2A6TYRALDH1A1ALOX15MAPK1
SCHEMBL3970246 0.97 CYP2A6 (0.47) CYP2A6TYRALDH1A1ALOX15MAPK1
Hydrogen Peroxide SCHEMBL28474147 0.94 CYP1A2 (0.46) CYP2A6TYRALDH1A1ALOX15MAPK1
SCHEMBL13291828 0.92 ALDH1A1 (0.48) CYP2A6TYRALDH1A1ALOX15MAPK1
SCHEMBL22781054 0.87 NPC1 (0.42) CYP2A6TYRALDH1A1ALOX15MAPK1
SCHEMBL21263559 0.85 LMNA (0.41) CYP2A6TYRALDH1A1CYP1A2NPC1
SCHEMBL12270451 0.85 MAPT (0.58) ALDH1A1NPC1RAB9AIDO1
SCHEMBL104124 0.83 TYR (0.58) TYRALDH1A1MAPK1NPC1RAB9A
SCHEMBL13542566 0.82 LMNA (0.59) ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL2684030 0.82 LMNA (0.55) ALDH1A1MAPK1CYP1A2NPC1RAB9A

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 1255 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043743-B Substituted triphenylamine aldehyde, preparation method and application 西北师范大学 2023-06-16 CN claimed
CN-115043743-A Substituted triphenylamine aldehyde, preparation method and application 西北师范大学 2022-09-13 CN claimed
CN-109293568-B Method for synthesizing 3, 4-dihydroquinoline-3 ketone compound by using double-oxidation dehydrocyclization reaction 西北师范大学 2021-01-12 CN claimed
CN-105753802-A 3-isopropyl-6-bromine benzisoxazole and preparing method thereof 广东环境保护工程职业学院 2016-07-13 CN claimed
CN-104785301-A Magnetic palladium composite catalyst, and preparation method and use thereof SUZHOU TOKIND CHEMICAL CO LTD 2015-07-22 CN claimed
CN-102091657-B Method for preparing magnetic double-carbene palladium ligand catalyst and using method thereof INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE 2013-02-06 CN claimed
CN-102091657-A Method for preparing magnetic double-carbene palladium ligand catalyst and using method thereof INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE 2011-06-15 CN claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
CN-122010906-A Aromatic heterocyclic derivative with S1P receptor modulating activity, and preparation method and application thereof 沈阳药科大学 2026-05-12 CN disclosed
EP-4423075-B1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-03-25 EP disclosed
EP-4103557-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2025-12-23 US disclosed
US-12497386-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2025-12-16 US disclosed
US-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2025-11-25 US disclosed
EP-0072540-A2 Melt-anisotropic wholly aromatic polyester, process for production thereof, and fibers or films thereof TEIJIN LIMITED (JP) 1983-02-23 EP disclosed
US-4070374-A Process for the preparation of aryl substituted aldehydes, ketones and alcohols GIVAUDAN CORPORATION (US) 1978-01-24 US disclosed
US-3992536-A SEDATIVES AND MUSCLE RELAXANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-16 US disclosed
US-3965180-A CNS DEPRESSANT THE UPJOHN COMPANY (US) 1976-06-22 US disclosed
US-3960932-A Process for the preparation of aldehydes from organic halides THE UNIVERSITY OF DELAWARE (US) 1976-06-01 US disclosed
US-3931185-A SEDATIVES, MUSCLE RELAXANT BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 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 (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-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DGKK, DGKG, DGKA CYP2A6 2795/4885TYR 3107/4885ALDH1A1 3915/4885
US-12497386-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 CYP2A6 352/4885TYR 4528/4885ALDH1A1 1642/4885
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL CYP2A6 683/4885TYR 3661/4885ALDH1A1 266/4885

“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.