SCHEMBL571847

SCHEMBL571847

Cc1cccc(O)c1[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.44
THRB P10828 1/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
RECQL P46063 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
LMNA P02545 3/20 0.36
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL5780751 0.83 CA2 (0.45) TRPA1ATMALDH1A1THRBHSD17B10
SCHEMBL476988 0.83 CYP1A2 (0.43) TRPA1ATMALDH1A1HSD17B10KDM4E
SCHEMBL11876975 0.77 CYP1A2 (0.50) TRPA1ATMALDH1A1HSD17B10KDM4E
SCHEMBL1698298 0.74 TSHR (0.39) TRPA1ATMALDH1A1HSD17B10KDM4E
SCHEMBL335267 0.74 CA2 (0.38) TRPA1ATMALDH1A1THRBHSD17B10
SCHEMBL910072 0.73 ALDH1A1 (0.41) ALDH1A1CA1CA2CA7CA9
SCHEMBL6149952 0.73 CD44 (0.50) ALDH1A1HSD17B10KDM4EHPGDCA1
SCHEMBL21201383 0.73 ACHE (0.48) ALDH1A1POLBCA1CA2CA7
SCHEMBL7156428 0.73 CES2 (0.39) ALDH1A1THRBHSD17B10KDM4EHPGD
SCHEMBL11508761 0.72 CYP3A4 (0.39) TRPA1TSHRCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012018854-A2 PACTAMYCIN ANALOGS AND METHODS OF USE STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUC. ON BEHALF OF OREGON STATE UNIVERSTITY (US) 2012-02-09 WO claimed
US-9399652-B2 Synthetic route to pactamycin and pactamycin analogs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-07-26 US disclosed
US-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-19 US disclosed
WO-2014116792-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-07-31 WO disclosed
US-20130231377-A1 PACTAMYCIN ANALOGS AND METHODS OF USE OREGON STATE UNIVERSITY (US) 2013-09-05 US disclosed
WO-2012018854-A2 PACTAMYCIN ANALOGS AND METHODS OF USE STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUC. ON BEHALF OF OREGON STATE UNIVERSTITY (US) 2012-02-09 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 (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-20130231377-A1 PACTAMYCIN ANALOGS AND METHODS OF USE MRPL9, PTCD3, MRPL38 TRPA1 4806/4885ATM 4621/4885ALDH1A1 4226/4885
US-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS PAICS, DPM1, MANBA TRPA1 4844/4885ATM 2090/4885ALDH1A1 1424/4885

“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.