SCHEMBL12499740

SCHEMBL12499740

CCC(=Cc1ccc2c(c1)OCCO2)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
ATM Q13315 1/20 0.51
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL12499733 1.00 TRPV1 (0.54) TRPV1KDM4EHPGDALDH1A1ATM
SCHEMBL10840510 0.91 CYP1A2 (0.59) KDM4EHPGDALDH1A1ATMCYP1A2
SCHEMBL15238959 0.91 CYP1A2 (0.59) KDM4EHPGDALDH1A1ATMCYP1A2
SCHEMBL338477 0.85 DYRK1A (0.47) TRPV1HPGDALDH1A1POLBNPC1
SCHEMBL2871514 0.85 DYRK1A (0.47) TRPV1HPGDALDH1A1POLBNPC1
SCHEMBL5494847 0.81 ATM (0.49) TRPV1KDM4EHPGDALDH1A1ATM
SCHEMBL5494845 0.81 ATM (0.49) TRPV1KDM4EHPGDALDH1A1ATM
SCHEMBL25302153 0.80 RAB9A (0.55) KDM4EHPGDALDH1A1NPC1MAPT
SCHEMBL5496886 0.79 KDM4E (0.61) TRPV1KDM4EHPGDALDH1A1ATM
SCHEMBL5496889 0.79 KDM4E (0.61) TRPV1KDM4EHPGDALDH1A1ATM

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
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 TRPV1 4851/4885KDM4E 166/4885HPGD 221/4885

“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.