SCHEMBL4407258

SCHEMBL4407258

C=C(C(=O)c1ccc(C=CC(=O)O)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HCAR2 Q8TDS4 2/20 0.58
TNKS O95271 1/20 0.58
TNKS2 Q9H2K2 1/20 0.58
ESR1 P03372 7/20 0.54
ESR2 Q92731 4/20 0.54
PGR P06401 2/20 0.54
SRD5A2 P31213 1/20 0.53
FFAR1 O14842 1/20 0.51
PKM P14618 2/20 0.50

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
SCHEMBL4407256 1.00 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694657 0.92 HDAC2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694655 0.92 HDAC2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694646 0.87 TNFRSF1A (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694796 0.87 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694798 0.87 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694639 0.87 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694641 0.87 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694645 0.87 TNFRSF1A (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5694751 0.82 ESR1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812017-A2 OPHTHAMOLOGICAL DRUGS Duke University (US) 2007-08-01 EP claimed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US claimed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO claimed
EP-1094055-B1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 EP claimed
US-6329547-B1 USEFUL AS THERAPEUTIC AGENTS FOR GLAUCOMA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-12-11 US claimed
EP-1094055-A1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-04-25 EP claimed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
EP-1812017-A2 OPHTHAMOLOGICAL DRUGS Duke University (US) 2007-08-01 EP disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO disclosed
EP-1094055-B1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 EP disclosed
US-6329547-B1 USEFUL AS THERAPEUTIC AGENTS FOR GLAUCOMA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-12-11 US disclosed
EP-1094055-A1 NOVEL VINYLBENZENE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-04-25 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 (2 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-20060135609-A1 Ophthamological drugs QDPR, PTGIR, PDE6C HDAC3 2977/4885HDAC4 1825/4885HDAC1 3945/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C HDAC3 2628/4885HDAC4 1332/4885HDAC1 3685/4885

“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.