SCHEMBL4647359

SCHEMBL4647359

O=C(O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DAO P14920 1/20 0.42
ASPH Q12797 1/20 0.42
CES2 O00748 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CYP1A2 P05177 1/20 0.41
CLCN2 P51788 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
NOTUM Q6P988 1/20 0.38
GRIK1 P39086 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP4 P15090 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL27990317 0.89 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL22075506 0.84 SELL (0.45) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL8047110 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL9685114 0.82 TAS2R14 (0.49) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL1195140 0.82 TAS2R14 (0.51) ALDH1A1HPGDKDM4EASPHCLCN2
SCHEMBL6864878 0.82 KIF11 (0.41) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL28484672 0.80 TAS2R14 (0.50) ALDH1A1HPGDKDM4EASPHCLCN2
SCHEMBL7719127 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL22075502 0.78 TDP1 (0.44) ALDH1A1HPGDKDM4EHSD17B10DAO
SCHEMBL4849605 0.77 DAO (0.44) ALDH1A1HPGDDAOASPHCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US claimed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP claimed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO claimed
CN-119486565-A Perovskite precursor solution, perovskite solar cell, preparation method and photovoltaic module 天合光能股份有限公司 2025-02-18 CN disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO disclosed
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-7049464-B2 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-23 US disclosed
US-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-24 US disclosed
EP-1548002-A1 PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2005-06-29 EP disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 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 (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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B ALDH1A1 4341/4885HPGD 1231/4885KDM4E 361/4885
US-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof ARSA, ADSL, ASS1 ALDH1A1 623/4885HPGD 3999/4885KDM4E 2207/4885

“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.