SCHEMBL25823578

SCHEMBL25823578

Cc1cc(CCC(C)C)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 9/20 0.44
SIGMAR1 Q99720 8/20 0.44
KCNH2 Q12809 7/20 0.41
PNMT P11086 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL12436727 0.84 SIGMAR1 (0.58) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL18926474 0.82 MMP1 (0.40) SIGMAR1
SCHEMBL10019195 0.80 PNMT (0.50) SIGMAR1PNMTMEN1KMT2APKM
SCHEMBL25823349 0.79 TMEM97 (0.43) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL12841593 0.78 SKP2 (0.46) SIGMAR1PNMTTAAR1MEN1KMT2A
SCHEMBL13965846 0.78 CYP1A2 (0.41) PNMTMEN1KMT2A
SCHEMBL21410551 0.77 SKP2 (0.59)
SCHEMBL14752345 0.77 ESR1 (0.59) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL20974679 0.77 PNMT (0.43) TMEM97SIGMAR1KCNH2PNMTTAAR1
SCHEMBL12333663 0.76 ALDH1A1 (0.47) PNMTTAAR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-07-05 US disclosed
US-9861596-B2 Compositions and methods for treating neurological diseases or injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-01-09 US disclosed
US-20150320702-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MEDICAL UNIVERSITY OF SOUTH CAROLINA 2015-11-12 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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 TMEM97 3475/4885SIGMAR1 1833/4885KCNH2 4410/4885
US-20150320702-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY PROC, GLS, NLN TMEM97 4714/4885SIGMAR1 4860/4885KCNH2 57/4885
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY PROC, GLS, NLN TMEM97 4714/4885SIGMAR1 4860/4885KCNH2 57/4885

“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.