SCHEMBL147113

SCHEMBL147113

Cc1cc2cccc(C)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 5/20 0.39
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
PLAU P00749 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL10686709 0.80 ALDH1A1 (0.38) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL147267 0.78 CHRNA7 (0.36) ALDH1A1CYP1A2HPGDCHRNA7HTR3A
SCHEMBL13893785 0.78 CYP3A4 (0.41) ALDH1A1HPGDHSD17B10CHRNA7PLAU
SCHEMBL31033267 0.78 CA2 (0.53) ALDH1A1CYP1A2HPGDPLAUCA2
SCHEMBL7476322 0.78 HDAC3 (0.50) ALDH1A1CYP2A6CYP1A2CHRNA7HTR3A
SCHEMBL24451614 0.78 ALDH1A1 (0.37) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL10690497 0.78 CYP2A6 (0.37) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL16023586 0.78 ALDH1A1 (0.37) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL2428854 0.78 PSMB8 (0.36) ALDH1A1CA2MAOAMAOB
SCHEMBL4420846 0.78 CYP2A6 (0.36) ALDH1A1CYP2A6CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11248073-B2 Manufacturing polymers of thiophene, benzothiophene, and their alkylated derivatives SAUDI ARABIAN OIL COMPANY (SA) 2022-02-15 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
EP-1651658-B2 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-08-12 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent KUMIAI CHEMICAL INDUSTRY CO., LTD. AND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-09-24 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7297751-B2 Photocontrolled photochromic electroluminescent and electroconductive polymers for photonics SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-11-20 US disclosed
US-20060091364-A1 Photocontrolled photochromic electroluminescent and electroconductive polymers for photonics SAMSUNG DISPLAY CO., LTD. (KR) 2006-05-04 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 (6 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ALDH1A1 2005/4885CYP2A6 893/4885CYP1A2 585/4885
US-20090240057-A1 3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent CBR3, HDHD5, OSR1 ALDH1A1 1893/4885CYP2A6 2350/4885CYP1A2 1873/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB ALDH1A1 336/4885CYP2A6 102/4885CYP1A2 261/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885CYP2A6 112/4885CYP1A2 69/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885CYP2A6 112/4885CYP1A2 69/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 ALDH1A1 187/4885CYP2A6 1111/4885CYP1A2 1655/4885

“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.