SCHEMBL4054286

SCHEMBL4054286

CC1CN=C(c2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
HPGD P15428 4/20 0.35
G6PD P11413 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 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
SCHEMBL6695032 0.91 RAB9A (0.35) SMN1; SMN2GAANPC1RAB9ANISCH
SCHEMBL6699838 0.88 NPC1 (0.37) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL3379728 0.73 USP1 (0.41) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL1338840 0.71 ALDH1A1 (0.47) SMN1; SMN2KMT2AMEN1NISCHALDH1A1
SCHEMBL135941 0.68 SMN1; SMN2 (0.42) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL10422186 0.68 NISCH (0.41) SMN1; SMN2MAPTNPC1RAB9ANISCH
SCHEMBL23241303 0.66 SMN1; SMN2 (0.39) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL7895962 0.66 USP1 (0.38) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL8138450 0.66 USP1 (0.38) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL8052687 0.66 NISCH (0.39) SMN1; SMN2NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 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-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO SMN1; SMN2 4056/4885MAPT 4734/4885GAA 306/4885

“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.