SCHEMBL13877832

SCHEMBL13877832

CC1(C)CC(C(C)(C)C)CC(C)(C)S1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL24508042 0.73 APLNR (0.33)
SCHEMBL9382526 0.69 APLNR (0.33)
SCHEMBL17451650 0.69 HSD11B1 (0.30)
SCHEMBL15629712 0.69 HSD11B1 (0.30)
SCHEMBL5669103 0.69
SCHEMBL25069360 0.69
SCHEMBL18160268 0.69
SCHEMBL15139341 0.67
SCHEMBL11955215 0.67 RECQL (0.34) ALDH1A1
SCHEMBL13877831 0.67

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232439-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-08-20 US disclosed
US-9029352-B2 Process for the preparation of C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-05-12 US disclosed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 US disclosed
US-20140045789-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-02-13 US disclosed
US-8497376-B2 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-30 US disclosed
US-20090105296-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (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-20150232439-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS FLT3, FES, FER ALDH1A1 4200/4885TDP1 3955/4885
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1A ALDH1A1 3178/4885TDP1 3675/4885
US-20090105296-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ALDH1A1 4702/4885TDP1 2261/4885
US-20140045789-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS FLT3, FES, FER ALDH1A1 4200/4885TDP1 3955/4885

“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.