SCHEMBL77591

SCHEMBL77591

Cc1c(N)ccc(C=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KCNJ1 P48048 2/20 0.39
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ERN1 O75460 1/20 0.33

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
SCHEMBL4353272 0.84 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1KCNJ1TDP1
SCHEMBL29818681 0.84 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1KCNJ1TDP1
SCHEMBL22769863 0.84 TSHR (0.39) TSHRCYP3A4PIK3CAALDH1A1KCNJ1
SCHEMBL2963214 0.80 TSHR (0.36) TSHRCYP3A4PIK3CAALDH1A1KCNJ1
SCHEMBL13743324 0.80 TSHR (0.36) TSHRCYP3A4PIK3CAALDH1A1KCNJ1
SCHEMBL1845335 0.79 TSHR (0.56) TSHRCYP3A4PIK3CAALDH1A1KCNJ1
SCHEMBL1048378 0.79 CDK4 (0.38) TSHRCYP3A4PIK3CAALDH1A1KDM4E
SCHEMBL3831451 0.76 CYP3A4 (0.40) TSHRCYP3A4PIK3CAALDH1A1TDP1
SCHEMBL29384787 0.76 CYP3A4 (0.62) TSHRCYP3A4PIK3CAALDH1A1KDM4E
SCHEMBL33944 0.76 CYP3A4 (0.62) TSHRCYP3A4PIK3CAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
CN-111484469-A Synthesis method and application of pyran subunit malononitrile photosensitizer lead compound 遵义医科大学 2020-08-04 CN claimed
CN-109305979-A 4- dimethylaminobenzaldehyde is preparing the application in NA inhibitor 湖南大学 2019-02-05 CN claimed
CN-107383934-A A kind of reactive brilliant bule KE GN preparation method 盐城市瓯华化学工业有限公司 2017-11-24 CN claimed
CN-117916082-B Laminate and method for producing laminate 富士胶片株式会社 2026-05-15 CN disclosed
US-12607931-B2 Photosensitive transfer material, light shielding material, LED array, and electronic apparatus FUJIFILM CORPORATION (JP) 2026-04-21 US disclosed
US-RE50790-E1 Ink composition, ink jet recording method, method for producing planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2026-02-10 US disclosed
US-20250314965-A1 PHOTOSENSITIVE COMPOSITION, CURED FILM, PHOTOSENSITIVE TRANSFER MATERIAL, FILM, AND LAMINATE FUJIFILM CORPORATION (JP) 2025-10-09 US disclosed
US-20250215467-A1 L-THREONINE TRANSALDOLASES AND USES THEREOF UNIVERSITY OF DELAWARE (US) 2025-07-03 US disclosed
US-12345850-B2 Laminate and method for manufacturing laminate FUJIFILM CORPORATION (JP) 2025-07-01 US disclosed
CN-114830034-B Transfer film and method for producing laminate 富士胶片株式会社 2025-05-30 CN disclosed
US-20250123558-A1 PHOTOSENSITIVE COMPOSITION, TRANSFER FILM, LAMINATE AND MANUFACTURING METHOD THEREOF, AND MICRO LED DISPLAY FUJIFILM CORPORATION (JP) 2025-04-17 US disclosed
US-4203973-A AMOXYCILLIN AND ANTIBIOTIC MM455OA BEECHAM GROUP LIMITED (GB) 1980-05-20 US disclosed
US-4181716-A PURIFICATION OF ANITBIOTIC MM 455OA BY CHROMATOGRAPHY ON CELLULOSE BEECHAM GROUP LIMITED (GB) 1980-01-01 US disclosed
US-4172129-A ANTIBIOTIC MM4553A; BETA-LACTAMASE INHIBITOR BEECHAM GROUP LIMITED (GB) 1979-10-23 US disclosed
US-4113721-A Water-soluble, non-polar solvent-soluble ethyleneoxy-propyleneoxy containing fugitial tints MILLIKEN RESEARCH CORPORATION (US) 1978-09-12 US disclosed
US-4038399-A 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4031104-A ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 US disclosed
US-3996234-A CORONARY VESSEL DILATORS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3974275-A 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 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-12607931-B2 Photosensitive transfer material, light shielding material, LED array, and electronic apparatus SETD1B, NLRP1, MAP1LC3B TSHR 2777/4885CYP3A4 3299/4885PIK3CA 2940/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO TSHR 3526/4885CYP3A4 2007/4885PIK3CA 3699/4885

“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.