SCHEMBL97060

SCHEMBL97060

O=Cc1ccc2cc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 1.00
AHR P35869 4/20 0.50
CMA1 P23946 1/20 0.50
TYR P14679 1/20 0.50
BACE1 P56817 1/20 0.50
ENPP2 Q13822 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
KIF11 P52732 2/20 0.43
APP P05067 3/20 0.43
MAPT P10636 3/20 0.43
GPR84 Q9NQS5 1/20 0.42
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41

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
Hydrochloric Acid SCHEMBL31208108 0.98 CYP2A6 (0.96) CYP2A6AHRCMA1TYRBACE1
SCHEMBL10605 0.85 CYP2A6 (0.73) CYP2A6AHRCMA1TYRBACE1
SCHEMBL31341461 0.83 CYP2A6 (1.00) CYP2A6AHRBACE1ALDH1A1KIF11
SCHEMBL97208 0.83 CYP2A6 (1.00) CYP2A6AHRBACE1ALDH1A1KIF11
SCHEMBL4931222 0.81 CYP2A6 (0.67) CYP2A6AHRCMA1TYRBACE1
SCHEMBL31229934 0.79 CYP2A6 (0.66) CYP2A6AHRCMA1TYRBACE1
SCHEMBL28312613 0.79 CYP2A6 (0.66) CYP2A6AHRCMA1TYRBACE1
SCHEMBL8837852 0.79 CYP2A6 (0.66) CYP2A6AHRCMA1TYRBACE1
SCHEMBL8051247 0.79 CYP2A6 (0.66) CYP2A6AHRCMA1TYRBACE1
SCHEMBL4950494 0.78 CYP2A6 (0.60) CYP2A6BACE1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119843490-A Antibacterial deodorizing blended fabric, preparation method thereof and application thereof in underwear 广东蓝天成实业有限公司 2025-04-18 CN claimed
CN-118652438-A Zirconium-based metal organic framework and preparation method thereof 深圳职业技术大学 2024-09-17 CN claimed
CN-117567436-A Novel fluorescent dialdehyde compound, preparation method, chitosan Schiff base copper functional material and application thereof 湖北工程学院 2024-02-20 CN claimed
WO-2023101943-A1 METHODS AND COMPOSITIONS FOR MAINTAINING AND EXPANDING HEMATOPOIETIC STEM CELLS TRAILHEAD BIOSYSTEMS INC. (US) 2023-06-08 WO claimed
CN-112574093-B Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2022-10-04 CN claimed
CN-110563716-B Structure, preparation and application of 2-thiazole formaldehyde-6-indole Schiff base 齐鲁工业大学 2022-09-30 CN claimed
CN-114302741-A Compositions and methods for treating autoimmune disorders 密执安大学评议会 2022-04-08 CN claimed
CN-108353906-B Application of indole-3-formaldehyde and derivatives thereof in preventing and treating plant diseases caused by plant pathogenic fungi 华南农业大学 2021-04-23 CN claimed
CN-112574093-A Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2021-03-30 CN claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
JP-2005530798-A 2005-10-13 JP claimed
CN-1653050-A Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES INC (US) 2005-08-10 CN claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
US-20050107415-A1 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. 2005-05-19 US claimed
EP-1506174-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF Jenken Biosciences, Inc. (US) 2005-02-16 EP claimed
WO-2003097608-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. (US) 2003-11-27 WO claimed
CN-1024626-C Tetrahydrobenz [c,d] indole serotonin agonists LILLY CO ELI (US) 1994-05-25 CN claimed
CN-1046330-A Tetrahydro benzo [c, d] indole serotonin stimulant LILLY CO ELI (US) 1990-10-24 CN claimed

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-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 CYP2A6 108/4885AHR 535/4885CMA1 815/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 CYP2A6 2648/4885AHR 2258/4885CMA1 283/4885
US-20050107415-A1 Opioid and opioid-like compounds and uses thereof OPRL1, OPRK1, OPRM1 CYP2A6 886/4885AHR 932/4885CMA1 3542/4885

“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.