SCHEMBL2235513

SCHEMBL2235513

CCCCCC1(C(=O)OC)CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.70
CYP4A11 Q02928 1/20 0.70
CETP P11597 5/20 0.48
NPSR1 Q6W5P4 1/20 0.39
NAAA Q02083 2/20 0.37
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.34
POLA1 P09884 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3150942 0.98 CYP4F2 (0.72) CYP4F2CYP4A11CETPNPSR1NAAA
SCHEMBL28199817 0.95 CYP4F2 (0.67) CYP4F2CYP4A11CETPNPSR1NAAA
SCHEMBL11088776 0.93 CYP4F2 (0.69) CYP4F2CYP4A11CETPNPSR1NAAA
SCHEMBL4944314 0.89 CYP4F2 (0.64) CYP4F2CYP4A11CETPNPSR1NAAA
Azetidine SCHEMBL28846888 0.86 CYP4F2 (0.61) CYP4F2CYP4A11CETPNPSR1NAAA
SCHEMBL23309175 0.86 CYP4F2 (0.93) CYP4F2CYP4A11CETPNPSR1MAPT
SCHEMBL11230109 0.86 CYP4F2 (0.56) CYP4F2CYP4A11CETPNAAA
SCHEMBL20730090 0.84 CYP4F2 (0.97) CYP4F2CYP4A11CETPNPSR1EPHX1
SCHEMBL22070954 0.84 CYP4F2 (0.96) CYP4F2CYP4A11CETPNPSR1MAPT
Pyrrolidine SCHEMBL28846861 0.83 CYP4F2 (0.58) CYP4F2CYP4A11CETPNPSR1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528907-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES Allergan, Inc. (US) 2012-12-05 EP disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
US-8299068-B2 Therapeutically active cyclopentanes ALLERGAN, INC. (US) 2012-10-30 US disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
WO-2011094225-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 WO disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 US disclosed
US-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES ALLERGAN, INC. (US) 2011-08-04 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-20110190286-A1 THERAPEUTICALLY ACTIVE CYCLOPENTANES TUBB6, ANXA5, TUBB1 CYP4F2 1791/4885CYP4A11 232/4885CETP 264/4885

“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.