SCHEMBL18712973

SCHEMBL18712973

CCC(C)c1cnn(CC(C)OC)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 2/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL15945437 0.84 ACHE (0.35) ACHE
SCHEMBL24973987 0.82 ACHE (0.46) ALDH1A1HTTMAPTPKMKMT2A
SCHEMBL24916434 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPTPKMKMT2A
SCHEMBL18712970 0.78 ACHE (0.33) ACHE
SCHEMBL12017404 0.77 HTR5A (0.36) HTTKMT2AACHE
SCHEMBL15947704 0.77 HTR5A (0.36) HTTKMT2AACHE
SCHEMBL24713244 0.77 KDM5B (0.39) ALDH1A1HTTMAPTPKMKMT2A
SCHEMBL17076744 0.76 MEN1 (0.43) ALDH1A1MAPTPKMKMT2AACHE
SCHEMBL659599 0.76 HPGD (0.46) ALDH1A1HTTMAPTPKMKMT2A
SCHEMBL15651587 0.76 MEN1 (0.43) ALDH1A1MAPTPKMKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 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 (1 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2706/4885HTT 4246/4885MAPT 2183/4885

“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.