SCHEMBL641616

SCHEMBL641616

CCOC(=O)C(=O)c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.66
CA1 P00915 6/20 0.66
CA2 P00918 6/20 0.66
CA7 P43166 6/20 0.66
CA9 Q16790 6/20 0.66
CA14 Q9ULX7 6/20 0.66
ESR1 P03372 3/20 0.66
ESR2 Q92731 1/20 0.66
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
KDR P35968 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL167161 0.86 CES2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL21636244 0.86 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL1408429 0.82 LMNA (0.67) CA12CA1CA2CA7CA9
SCHEMBL1525403 0.82 CES2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL11747306 0.82 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL166220 0.82 MAPT (0.57) CA12CA1CA2CA7CA9
SCHEMBL696315 0.82 KMT2A (0.57) CA12CA1CA2CA7CA9
SCHEMBL21636242 0.82 KMT2A (0.50) CA12CA1CA2CA7CA9
SCHEMBL13909369 0.82 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9041402 0.82 MAPT (0.50) CA12CA1CA2CA7CA9

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210095074-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2021-04-01 US disclosed
EP-3649182-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2020-05-13 EP disclosed
WO-2019007803-A1 POLYOXAZOLIN WITH A PHOTOACTIVATABLE GROUP BASF SE (DE) 2019-01-10 WO disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
EP-2444391-B1 BASE AND RADICAL GENERATOR, COMPOSITION USING SAME AND METHOD FOR CURING SAME THREE BOND CO LTD (JP) 2013-11-06 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP disclosed
US-4239779-A AND AS A HYPOGLYCEMIC AGENT PFIZER INC. (US) 1980-12-16 US disclosed
US-4219566-A TREATMENT OF ISCHEMIC HEART DISEASE AND HYPERGLYCEMIA OF DIABETES PFIZER INC. (US) 1980-08-26 US 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-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS CA12 4018/4885CA1 1984/4885CA2 719/4885

“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.