SCHEMBL2890249

SCHEMBL2890249

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 3/20 0.59
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
NOTUM Q6P988 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 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
SCHEMBL22178481 0.94 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL18016201 0.91 CA1 (0.75) CA1CA2TDP1MAPTALDH1A1
SCHEMBL592406 0.87 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL677961 0.87 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL548614 0.85 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL15382437 0.85 CA1 (0.57) CA1CA2CA12CA7CA9
Water SCHEMBL28249729 0.85 CA1 (0.66) CA1CA2CA12CA7CA9
SCHEMBL141627 0.85 CA1 (0.66) CA1CA2TDP1MAPTALDH1A1
SCHEMBL12532604 0.83 TDP1 (0.61) CA1CA2TDP1MAPTALDH1A1
SCHEMBL28993944 0.83 CA1 (0.80) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802813-B2 Polymer comprising cyclohexylene groups and its use in films with negative optical dispersion MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2014-08-12 US disclosed
US-8802813-B2 Polymer comprising cyclohexylene groups and its use in films with negative optical dispersion MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2014-08-12 US disclosed
EP-2451893-B1 POLYMER COMPRISING CYCLOHEXYLENE GROUPS AND ITS USE IN FILMS WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2013-05-29 EP disclosed
US-20120108781-A1 POLYMER COMPRISING CYCLOHEXYLENE GROUPS AND ITS USE IN FILMS WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2012-05-03 US disclosed
US-20120108781-A1 POLYMER COMPRISING CYCLOHEXYLENE GROUPS AND ITS USE IN FILMS WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2012-05-03 US disclosed
WO-2011003505-A1 POLYMER COMPRISING CYCLOHEXYLENE GROUPS AND ITS USE IN FILMS WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2011-01-13 WO disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-5183926-A Process for the preparation of aromatic dicarboxylic acids and aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
EP-0414062-A2 Process for preparing aromatic dicarboxylic acids and novel aromatic dicarboxylic acids BAYER AG (DE) 1991-02-27 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CA1 172/4885CA2 831/4885CA12 610/4885

“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.