SCHEMBL23352307

SCHEMBL23352307

CCCCCCC(C)Cc1n[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ GAA P10253 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL23046941 0.87 KDM4E (0.40) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL29117330 0.79 MEN1 (0.47) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL9229130 0.77 KDM4E (0.39) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL9963337 0.77 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL23679844 0.77 YTHDC1 (0.40) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL1326632 0.76 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL9300413 0.75 KDM4E (0.40) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL25139723 0.75 KDM4E (0.48) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL24995661 0.74 KDM4E (0.39) KDM4EGAAPDPK1CYP3A4MEN1
SCHEMBL30166149 0.74 SLC6A2 (0.50) KDM4EGAAPDPK1CYP3A4CYP1A2

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-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 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-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT KDM4E 283/4885GAA 94/4885PDPK1 1578/4885

“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.

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