SCHEMBL29391998

SCHEMBL29391998

CCc1ccc(-c2c(C#N)cc(OC)c(O)c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
AR P10275 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PGR P06401 1/20 0.39
PDE9A O76083 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
GRIA2 P42262 3/20 0.37
GRIA4 P48058 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 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
SCHEMBL15536667 0.83 MAOA (0.47) KDM4ELMNATSHRHSD17B10HPGD
SCHEMBL15536108 0.83 PDE9A (0.44) KDM4EMAPK1LMNATSHRHSD17B10
SCHEMBL15534840 0.82 MAPK1 (0.36) KDM4EMAPK1LMNATSHRAR
SCHEMBL29392429 0.81 AR (0.42) KDM4EMAPK1LMNATSHRHSD17B10
SCHEMBL15535306 0.81 ERN1 (0.48) AR
SCHEMBL29391577 0.81 AR (0.51) KDM4EMAPK1LMNAHSD17B10AR
SCHEMBL29392561 0.80 KDM4E (0.44) KDM4EMAPK1LMNATSHRHSD17B10
SCHEMBL29391740 0.79 HSD17B1 (0.42) MAPK1LMNAHSD17B10ARMEN1
SCHEMBL15536114 0.79 AR (0.45) KDM4ELMNATSHRHSD17B10HPGD
SCHEMBL15547953 0.79 HSD17B1 (0.42) MAPK1LMNAHSD17B10ARMEN1

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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT KDM4E 576/4885MAPK1 2934/4885LMNA 4405/4885

“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.