SCHEMBL23344780

SCHEMBL23344780

Cc1ccc(CC(C)(C)C)c(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
KHK P50053 1/20 0.43
KDM4E B2RXH2 7/20 0.42
HSD17B10 Q99714 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
NUDT1 P36639 1/20 0.38
GLA P06280 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 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
SCHEMBL15831846 0.82 ALDH1A1 (0.44) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL20369843 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL24042938 0.73 ALDH1A1 (0.48) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL23344677 0.72 CYP11B1 (0.45) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL23344647 0.72 CYP1A2 (0.45) TRPV1
SCHEMBL4500475 0.71 CYP2A13 (0.43) ALDH1A1KDM4EHSD17B10TRPV1POLB
SCHEMBL20365554 0.71 ALDH1A1 (0.46) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL23344648 0.71 MEN1 (0.43) KDM4EKMT2AMEN1GAA
SCHEMBL6821415 0.70 ALDH1A1 (0.58) ALDH1A1HPGDKHKKDM4EHSD17B10
SCHEMBL24611970 0.70 POLB (0.47) ALDH1A1HPGDKHKKDM4EHSD17B10

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A ALDH1A1 3396/4885HPGD 1577/4885KHK 3371/4885

“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.