SCHEMBL1108640

SCHEMBL1108640

CNC1CCC2CCCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15291359 1.00 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22259482 0.98 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13066300 0.95 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25811204 0.92 KDM1A (0.31)
SCHEMBL28017655 0.90 ALDH1A1 (0.40) ALDH1A1
SCHEMBL23079165 0.90 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19914450 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL19914461 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL19914534 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18633018 0.87 KDM1A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
CN-108137557-B Nrf2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 CN disclosed
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
EP-2295434-A2 Substituted 8-heteroaryl xanthines Adenosine Therapeutics, LLC (US) 2011-03-16 EP disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-7618962-B2 Pyrazolyl substituted xanthines PGX HEALTH, LLC (US) 2009-11-17 US disclosed
US-7618962-B2 Pyrazolyl substituted xanthines PGX HEALTH, LLC (US) 2009-11-17 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
EP-0355544-B1 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1994-01-26 EP disclosed
EP-0355544-A2 Substituted decalin amines, method for their preparation and their use in pesticides BAYER AG (DE) 1990-02-28 EP 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 (4 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 ALDH1A1 881/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 ALDH1A1 962/4885
US-20230354690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NR1D2, NR1D1, NR1H2 ALDH1A1 1352/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ALDH1A1 962/4885

“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.