SCHEMBL3318173

SCHEMBL3318173

CCN(CCNC=O)CCOC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.40
ADH1A P07327 3/20 0.40
ADH7 P40394 3/20 0.40
ADH1C P00326 2/20 0.38
EPHX1 P07099 1/20 0.36
ADH4 P08319 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
PAOX Q6QHF9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3314754 0.89 ADH1B (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL23486781 0.84 MEN1 (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL93173 0.82 ADH1B (0.52) ADH1BADH1AADH7ADH1CEPHX1
Hydrochloric Acid SCHEMBL4811854 0.80 ADH1B (0.50) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL9868336 0.80 PAOX (0.37) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL29951037 0.79 MEN1 (0.35) MEN1KMT2APOLBALDH1A1
SCHEMBL7361074 0.79 MEN1 (0.33) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL9867979 0.78 NAAA (0.36) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7366275 0.77 MEN1 (0.35) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL3319760 0.77 ADH1B (0.43) ADH1BADH1AADH7ADH1CEPHX1

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ADH1B 1255/4885ADH1A 1695/4885ADH7 1425/4885

“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.