SCHEMBL2219218

SCHEMBL2219218

COC(=O)/C=C/c1ccc(C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
TYR P14679 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR35 Q9HC97 1/20 0.52
PTPN1 P18031 1/20 0.50
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
ESR1 P03372 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL2219220 1.00 CA12 (0.57) CA12CA1CA2TYRCA7
SCHEMBL26690544 0.88 RAB9A (0.50) CA12CA1CA2TYRCA7
SCHEMBL15043513 0.87 CA12 (0.55) CA12CA1CA2TYRCA7
SCHEMBL22490430 0.85 TRPM8 (0.57) RAB9AMEN1NPC1POLBBLM
SCHEMBL11748682 0.81 GSK3B (0.51) CA12CA1CA2TYRCA7
SCHEMBL1780164 0.81 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1780168 0.81 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1780162 0.81 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1780166 0.81 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1088759 0.81 KMT2A (0.56) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317025-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS INC (US) 2013-11-28 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 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-20130317025-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A CA12 2667/4885CA1 710/4885CA2 1828/4885
US-20110178083-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A CA12 2667/4885CA1 710/4885CA2 1828/4885

“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.