SCHEMBL6204533

SCHEMBL6204533

O=P(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ACP3 P15309 1/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
EPHX2 P34913 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
SRD5A2 P31213 1/20 0.40
FDFT1 P37268 1/20 0.40

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
SCHEMBL11991724 1.00 KIF11 (0.48) KIF11CES2CES1CA12CA1
SCHEMBL11991747 0.95 KIF11 (0.56) KIF11CES2CES1FDFT1
SCHEMBL7154044 0.91 KIF11 (0.58) KIF11CA12CA1MMP2ALDH1A1
SCHEMBL11991128 0.89 HPGD (0.46) KIF11CES2CES1CA1ALDH1A1
SCHEMBL11991723 0.87 KIF11 (0.43) KIF11CES2CES1CA12CA1
SCHEMBL11991150 0.85 KIF11 (0.47) KIF11ALDH1A1TSHR
SCHEMBL11991777 0.85 PTPN1 (0.47) KIF11CES2CES1CA12CA1
SCHEMBL9927349 0.82 SLC6A2 (0.37) KIF11CES2CES1CA12CA1
SCHEMBL11991721 0.82 KMT2A (0.39) KIF11CES2CES1CA12CA1
SCHEMBL28650186 0.82 CES2 (0.44) KIF11CES2CES1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 EP claimed
US-20040116721-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2004-06-17 US claimed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP claimed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 US claimed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 EP claimed
US-9149800-B2 Method for producing ruthenium catalyst and method for producing alkyl group—or alkenyl group-substituted compound using ruthenium catalyst KYOTO UNIVERSITY (JP) 2015-10-06 US disclosed
US-20150165433-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST KYOTO UNIVERSITY (JP) 2015-06-18 US disclosed
EP-2810712-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST Kyoto University (JP) 2014-12-10 EP disclosed
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 EP disclosed
US-6878835-B2 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2005-04-12 US disclosed
EP-1439001-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2004-07-21 EP disclosed
US-20040116721-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2004-06-17 US disclosed
US-6680275-B2 COMPLEX OF OPTICALLY ACTIVE BINAPHTHOL, LANTHANUM TRIISOPROPOXIDE OXIDE, TRIPHENYLPHOSPHINE OXIDE AND CUMENE OR TERT-BUTYL HYDROPEROXIDE; OPTICAL PURITY; REACTIVITY; STABILITY TOSOH CORPORATION (JP) 2004-01-20 US disclosed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP disclosed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP disclosed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 US disclosed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 EP disclosed
US-5633420-A BORON TRIFLUORIDE AND PHOSPHORUS PROMOTER AMOCO CORPORATION (US) 1997-05-27 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 (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-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it SQLE, ENO1, GPX4 KIF11 4798/4885CES2 906/4885CES1 777/4885
US-20150165433-A1 METHOD FOR PRODUCING RUTHENIUM CATALYST AND METHOD FOR PRODUCING ALKYL GROUP- OR ALKENYL GROUP-SUBSTITUTED COMPOUND USING RUTHENIUM CATALYST ADH5, ADH1A, ADH1C KIF11 3330/4885CES2 1462/4885CES1 2012/4885

“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.