SCHEMBL4408604

SCHEMBL4408604

COC(=O)c1ccc(C(O)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA12 O43570 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
CA7 P43166 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.56
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 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
SCHEMBL30251598 0.92 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL866718 0.92 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL4248683 0.91 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL28823597 0.91 CA1 (0.75) CA1CA2CA12CA9CA14
SCHEMBL3297654 0.91 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL1765758 0.91 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL6533202 0.88 CA1 (0.56) CA1CA2CA12CA9CA14
SCHEMBL14487959 0.87 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL2515882 0.86 CA1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL30251393 0.86 CA1 (0.54) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247687-B2 Photoelectric conversion element and solar cell KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-08-21 US disclosed
US-8247687-B2 Photoelectric conversion element and solar cell KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-08-21 US disclosed
US-20090250115-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-10-08 US disclosed
US-20090250115-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-10-08 US disclosed
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-7485742-B2 Non-glycosidic and non-peptidic inhibitors of selectin, and the use thereof Johannes Gutenberg-Universität Mainz (DE) 2009-02-03 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
US-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2007-11-29 US disclosed
EP-1778625-A1 NON-GLYCOSIDIC AND NON-PEPTIDIC SELECT INHIBITORS, AND THE USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2007-05-02 EP disclosed
WO-2006010598-A1 NON-GLYCOSIDIC AND NON-PEPTIDIC SELECT INHIBITORS, AND THE USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2006-02-02 WO disclosed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 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 (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-20070276036-A1 Non-Glycosidic and Non-Peptidic Select Inhibitors, and the Use Thereof VCAM1, ICAM1, SELPLG CA1 1636/4885CA2 3425/4885CA12 2491/4885

“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.