SCHEMBL178170

SCHEMBL178170

[CH2]CCC1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 3/20 0.44
HPGD P15428 1/20 0.41
METAP1 P53582 1/20 0.40
EPHX1 P07099 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CHRM5 P08912 2/20 0.36
ADRA2C P18825 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL60593 1.00
SCHEMBL3027711 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL8176343 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL866084 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL867086 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL866633 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL21831394 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL21114318 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL21831579 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL22434 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903480-A Method for preparing beta-enaminone based on sulfoxide and aldoxime and beta-enaminone 盐城师范学院 2023-10-20 CN claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN claimed
CN-110143886-A The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol 北京化工大学 2019-08-20 CN claimed
CN-110117220-A A kind of preparation method of naphthene amino phenol intermediate 中国科学院长春应用化学研究所 2019-08-13 CN claimed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US claimed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US claimed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO claimed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP claimed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP claimed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US claimed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US claimed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US claimed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO claimed
EP-3597670-B1 WATER-SOLUBLE COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT THEREOF, AND CURED PRODUCT THEREOF, AND ACYL PHOSPHINATE ADEKA CORP (JP) 2024-07-10 EP disclosed
CN-118206525-A Aromatic ring [ d ] thiazepine ketone compound and preparation method thereof 北京化工大学 2024-06-18 CN disclosed
EP-0010067-A2 Process for influencing plant growth CIBA-GEIGY AG (CH) 1980-04-16 EP disclosed
EP-0002039-A1 Phosphonous acid derivatives, processes for their preparation and their use in combating microorganisms CIBA-GEIGY AG (CH) 1979-05-30 EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 CYP1A2 1650/4885SIGMAR1 701/4885HPGD 430/4885
US-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CYP1A2 1207/4885SIGMAR1 4399/4885HPGD 1380/4885

“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.