SCHEMBL656748

SCHEMBL656748

Cc1ccc2c(/C(=C/C(=O)O)c3ccccc3)occ2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNMA1 Q12791 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GPR52 Q9Y2T5 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL658791 1.00 ADORA3 (0.36) ADORA3MAPTSMN1; SMN2ALOX15CES2
SCHEMBL656594 1.00 ADORA3 (0.36) ADORA3MAPTSMN1; SMN2ALOX15CES2
SCHEMBL658543 0.85 PDPK1 (0.40) MAPTSMN1; SMN2ALOX15CES2CES1
SCHEMBL658917 0.85 PDPK1 (0.40) MAPTSMN1; SMN2ALOX15CES2CES1
SCHEMBL658542 0.85 PDPK1 (0.40) MAPTSMN1; SMN2ALOX15CES2CES1
SCHEMBL11684794 0.75 CYP2A6 (0.44) MAPTSMN1; SMN2ALOX15KDM4EKMT2A
SCHEMBL9155638 0.72 CES2 (0.61) MAPTSMN1; SMN2CES2CES1CYP3A4
SCHEMBL9155633 0.72 CES2 (0.61) MAPTSMN1; SMN2CES2CES1CYP3A4
SCHEMBL656592 0.71 ADORA3 (0.51) ADORA3MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL656593 0.71 ADORA3 (0.51) ADORA3MAPTSMN1; SMN2KMT2AALDH1A1

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-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB ADORA3 1522/4885MAPT 964/4885SMN1; SMN2 4389/4885

“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.