SCHEMBL4410366

SCHEMBL4410366

C=C(CC)C(=O)c1ccc(OC(Cl)C(=O)O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 9/20 0.45
GSTA1 P08263 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ABCC3 O15438 1/20 0.45
PLIN1 O60240 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HSPD1 P10809 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MAP2K6 P52564 1/20 0.45
HSPE1 P61604 1/20 0.45
GSTO1 P78417 1/20 0.45
PLIN5 Q00G26 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL11603981 0.90 MAPT (0.38) GSTP1GSTA1ALDH1A1MAPTMEN1
SCHEMBL11604420 0.83 GSTP1 (0.38) GSTP1ALDH1A1MAPTTSHRPPARA
SCHEMBL10833653 0.80 TSHR (0.62) GSTP1GSTA1ALDH1A1MAPTMEN1
SCHEMBL11455560 0.78 SMN1; SMN2 (0.52) ALDH1A1MAPTMEN1TP53TSHR
SCHEMBL11603769 0.76 THRB (0.52) ALDH1A1MAPTLMNAHTTRECQL
SCHEMBL11602279 0.76 PTPN1 (0.35) GSTP1HTTKMT2APPARAPPARG
SCHEMBL11191192 0.74 THRB (0.56) GSTP1GSTA1ALDH1A1MAPTMEN1
SCHEMBL11194329 0.73 MAOB (0.55) MAPTKMT2ATHRATHRB
SCHEMBL11200072 0.73 THRA (0.42) GSTP1GSTA1ALDH1A1MAPTMEN1
SCHEMBL1090803 0.73 PPARG (0.55) ALDH1A1LMNATSHRPPARAPPARG

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-2830552-A1 OPHTHALMIC DRUG DELIVERY DEVICE AND METHODS OF USE Duke University (US) 2015-02-04 EP disclosed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
WO-2013148301-A1 OPHTHALMIC DRUG DELIVERY DEVICE AND METHODS OF USE DUKE UNIVERSITY (US) 2013-10-03 WO 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-20060265776-A1 Viability DURHAM, UNIVERSITY OF (GB) 2006-11-23 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO disclosed
EP-1608772-A1 IMPROVEMENTS IN OR RELATING TO VIABILITY UNIVERSITY OF DURHAM (GB) 2005-12-28 EP disclosed
WO-2004087944-A1 IMPROVEMENTS IN OR RELATING TO VIABILITY UNIVERSITY OF DURHAM (GB) 2004-10-14 WO disclosed
US-5863948-A Increasing aqueous humor outflow MASSACHUSETTS EYE AND EAR INFIRMARY (US) 1999-01-26 US disclosed
EP-0100053-B1 COMPOUNDS HAVING ANGIOTENSIN CONVERTING ENZYME INHIBITORY ACTIVITY AND DIURETIC ACTIVITY RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-10-21 EP disclosed
US-4661515-A N-CYCLOPENTYL GLYCINE DERIVATIVES USV PHARMACEUTICAL CORPORATION (US) 1987-04-28 US disclosed
US-4559332-A 20-Spiroxanes and analogues having an open ring E, processes for their manufacture, and pharmaceutical preparations thereof CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0100053-A1 Compounds having angiotensin converting enzyme inhibitory activity and diuretic activity RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-02-08 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-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C GSTP1 939/4885GSTA1 1449/4885ALDH1A1 711/4885

“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.