SCHEMBL9756924

SCHEMBL9756924

Cc1cc(/C=C/C(=O)O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
HCAR2 Q8TDS4 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 3/20 0.43

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
SCHEMBL9756926 1.00 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL4063254 0.77 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL390358 0.77 AKR1C3 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4063251 0.77 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL390357 0.77 AKR1C3 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9756825 0.77 DAO (0.51) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL9756823 0.77 DAO (0.51) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL8746677 0.71 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8746675 0.71 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4841041 0.71 KDM4E (0.53) HCAR2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES Synthorx, Inc. (US) 2016-06-16 US disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 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-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT DAO 146/4885HCAR2 4229/4885HDAC3 3736/4885

“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.