SCHEMBL9109996

SCHEMBL9109996

[CH2]CC=Cc1cccc(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TP53 P04637 1/20 0.37
DHODH Q02127 1/20 0.36
MGLL Q99685 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCL2 P10415 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.33
IDO1 P14902 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
SCHEMBL9110384 1.00 HDAC4 (0.42) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL16167528 0.85 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL16167524 0.85 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL10858214 0.81 ALDH1A1 (0.47) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL29239895 0.81 HDAC4 (0.42) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL10987751 0.81 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11TP53
SCHEMBL29674000 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL318201 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL318202 0.80 HDAC4 (0.49) HDAC4MEF2DTP53DHODHPTGS2
SCHEMBL30641423 0.79 HDAC4 (0.40) HDAC4MEF2DCYP4F2CYP4A11TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 HDAC4 271/4885MEF2D 3567/4885CYP4F2 1706/4885

“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.