SCHEMBL265366

SCHEMBL265366

CCOC(=O)c1cc(C)cc(C(=O)OCC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA7 P43166 3/20 0.67
CA9 Q16790 3/20 0.67
CA14 Q9ULX7 3/20 0.67
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
HSD17B2 P37059 1/20 0.49
NR1H2 P55055 1/20 0.48

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
SCHEMBL4859473 0.95 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.93 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL264861 0.92 CYP2C19 (0.64) CA12CA1CA2CA7CA9
SCHEMBL13307515 0.92 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13307516 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL16769676 0.88 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL670453 0.88 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2257945 0.88 CA12 (0.81) CA12CA1CA2CA7CA9
SCHEMBL13307512 0.87 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13307504 0.87 CA12 (0.53) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536578-B Aromatic ester substituted viologen black electrochromic compound and preparation method and application thereof 浙江大学 2024-03-29 CN disclosed
CN-115536578-A Aromatic ester substituted viologen black electrochromic compound and preparation method and application thereof 浙江大学 2022-12-30 CN disclosed
WO-2015168368-A1 FLUOROALKYLATION REAGENTS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-05 WO disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
WO-1994004507-A1 BASKET PORPHYRIN OXYGEN CARRIERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-03-03 WO disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 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 (4 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CA12 3007/4885CA1 4618/4885CA2 1044/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CA12 2662/4885CA1 1262/4885CA2 170/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 CA12 284/4885CA1 94/4885CA2 113/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CA12 2887/4885CA1 4324/4885CA2 595/4885

“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.