SCHEMBL1200366

SCHEMBL1200366

C1=CC(C2CCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1200265 0.97 ALDH1A1 (0.35) ALDH1A1
SCHEMBL726263 0.92 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3278054 0.92 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7421159 0.92 ALDH1A1 (0.35) ALDH1A1
SCHEMBL121087 0.86
SCHEMBL9640691 0.86
SCHEMBL7279427 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9640680 0.86
SCHEMBL1133414 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7783728 0.84 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670433-B2 Useful as molding resins E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US claimed
US-20030055186-A1 Polymers of substituted cyclopentenes MCLAIN STEPHAN J (US) 2003-03-20 US claimed
US-6258908-B1 Polymers of substituted cyclopentenes E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-10 US claimed
EP-1068247-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-17 EP claimed
WO-1999050320-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-07 WO claimed
US-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-08-07 US disclosed
US-8748649-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2014-06-10 US disclosed
US-20140018421-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2014-01-16 US disclosed
US-8367732-B2 Di-fluoro containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-02-05 US disclosed
US-20110172310-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-07-14 US disclosed
US-7893112-B2 N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors VIROBAY, INC. (US) 2011-02-22 US disclosed
EP-2262370-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Virobay, Inc. (US) 2010-12-22 EP disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-6670433-B2 Useful as molding resins E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed
US-20030055186-A1 Polymers of substituted cyclopentenes MCLAIN STEPHAN J (US) 2003-03-20 US disclosed
US-6258908-B1 Polymers of substituted cyclopentenes E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-10 US disclosed
EP-1068247-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-17 EP disclosed
WO-1999050320-A2 POLYMERS OF SUBSTITUTED CYCLOPENTENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-07 WO disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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 (3 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-20140221478-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS ALDH1A1 1867/4885
US-20110172310-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS ALDH1A1 1867/4885
US-20140018421-A1 DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSF, CTSZ, CTSS ALDH1A1 1867/4885

“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.