SCHEMBL3448489

SCHEMBL3448489

CCOc1ccc(-c2cc[nH]n2)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADORA3 P0DMS8 2/20 0.43
PARP1 P09874 1/20 0.40
MAPK1 P28482 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
ALOX15 P16050 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX12 P18054 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO1 P15559 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL13319130 0.83 CDK9 (0.38) L3MBTL1
SCHEMBL11625444 0.79 ALDH1A1 (0.50) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL28866549 0.77 MAOB (0.49) KDM4ELMNAMAPK1MAPTNPSR1
SCHEMBL15657901 0.76 ALPL (0.55) KDM4ELMNASMN1; SMN2ADORA3MAPK1
SCHEMBL23161492 0.75 NQO1 (0.52) TP53KDM4ESMN1; SMN2ADORA3MAPK1
SCHEMBL14085522 0.75 TP53 (0.49) TP53KDM4ELMNASMN1; SMN2ADORA3
SCHEMBL730359 0.74 KDM4E (0.31) KDM4EALDH1A1RXFP1
SCHEMBL3447598 0.74 ALPL (0.68) TP53KDM4ELMNASMN1; SMN2MAPT
SCHEMBL6452344 0.74 TLR9 (0.51) KDM4ESMN1; SMN2MAPK1MAPTMEN1
SCHEMBL15401337 0.72 MEN1 (0.62) TP53KDM4ELMNASMN1; SMN2PARP1

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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 TP53 4199/4885KDM4E 2989/4885LMNA 2763/4885

“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.