SCHEMBL128980

SCHEMBL128980

[NH]CCCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
SIGMAR1 Q99720 4/20 0.52
EPHX1 P07099 2/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL8392547 1.00 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1HPGDALDH1A1
SCHEMBL1678488 0.97
SCHEMBL9292937 0.92 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL133413 0.92 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL1678775 0.92
SCHEMBL9293964 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL133994 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL9213994 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL10455100 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1HPGD
SCHEMBL9212066 0.86 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20110218225-A1 NON-STEROIDAL LIGANDS FOR THE GLUCOCORTICOID RECEPTOR, COMPOSITIONS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
US-7947726-B2 Non-steroidal ligands for the glucocorticoid receptor, and compositions thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-24 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP disclosed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 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-20110218225-A1 NON-STEROIDAL LIGANDS FOR THE GLUCOCORTICOID RECEPTOR, COMPOSITIONS AND USES THEREOF NR3C1, NR3C2, GCGR CYP1A2 2642/4885SIGMAR1 178/4885EPHX1 1840/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CYP1A2 95/4885SIGMAR1 4700/4885EPHX1 1130/4885

“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.