SCHEMBL9004

SCHEMBL9004

O=[C]c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 5/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 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
SCHEMBL194524 0.87 HPRT1 (0.58) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1227243 0.84 CA1 (0.38) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1920365 0.82 HSD17B10 (0.48) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL5970913 0.82 CA1 (0.46) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10481630 0.81 CA1 (0.53) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL194326 0.79 ALDH1A1 (0.46) CA1CA2ALDH1A1HSD17B10CYP1A2
SCHEMBL2776015 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL29661843 0.79 CHAT (0.60) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL1141298 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6
SCHEMBL10804459 0.79 HPRT1 (0.52) CA1CA2ALDH1A1HSD17B10CYP2A6

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

Appears in 27363 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929207-B1 PEPTIDE FTTFTVT FOR USE IN TREATING FIBROSIS UNIV TEXAS (US) 2024-07-17 EP claimed
US-20240216321-A1 FERMENTATIVELY-PRODUCED RETINOID CONTAINING COMPOSITIONS, AND THE METHDOS OF MAKING AND USING THE SAME DSM IP ASSETS B.V. (NL) 2024-07-04 US claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
EP-4384571-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTER BASED NEGATIVE BIREFRINGENT COMPENSATION FILMS HAVING IMPROVED WAVELENGTH DISPERSION Eastman Chemical Company (US) 2024-06-19 EP claimed
CN-115485268-B Synthesis of vinyl protected alcohol intermediates 安进公司 2024-06-18 CN claimed
US-12006375-B2 Regioselectively substituted cellulose esters EASTMAN CHEMICAL COMPANY (US) 2024-06-11 US claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 CN claimed
US-4011341-A HERBICIDES ELI LILLY AND COMPANY (US) 1977-03-08 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3989840-A Control of animal parasites with ring-substituted N-(2,2-difluoroalkanoyl)-O-phenylenediamines ELI LILLY AND COMPANY (US) 1976-11-02 US claimed
US-3989835-A Method of using 6-substituted amino phenyl-2,3,5,6-tetra-hydro[2,1-b]thiazoles for controlling gastrointestinal nematodes AMERICAN CYANAMID COMPANY (US) 1976-11-02 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3962263-A HERBICIDES ELI LILLY AND COMPANY (US) 1976-06-08 US claimed
US-3951964-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-20 US claimed
US-3943132-A Process for the preparation of hydrazones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 US claimed
US-3930791-A MONOAZO DYE HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed