SCHEMBL10600199

SCHEMBL10600199

FC(=C(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
ESR1 P03372 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CES2 O00748 2/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PTPN1 P18031 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 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
SCHEMBL14321616 1.00 CES1 (0.50) CES1ESR1TSHRALDH1A1CES2
SCHEMBL10600198 1.00 CES1 (0.50) CES1ESR1TSHRALDH1A1CES2
SCHEMBL26657487 0.87 KIF11 (0.45) CES1ALDH1A1NPC1RAB9APTPN1
SCHEMBL30662819 0.87 KIF11 (0.45) CES1ALDH1A1NPC1RAB9APTPN1
SCHEMBL26657463 0.87 KIF11 (0.45) CES1ALDH1A1NPC1RAB9APTPN1
SCHEMBL17885410 0.80 BCL2L1 (0.38) CES1CES2PTPN1
SCHEMBL10447661 0.79 CES1 (0.40) CES1ESR1TSHRALDH1A1CES2
SCHEMBL28376070 0.78 ESR1 (0.40) ESR1TSHRALDH1A1NPC1RAB9A
SCHEMBL2234110 0.78 CES1 (0.47) CES1TSHRALDH1A1CES2DAO
SCHEMBL18985177 0.78 CES1 (0.47) CES1TSHRALDH1A1CES2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031851-B1 CROSSLINKING AGENT AND FLUORINE-CONTAINING AROMATIC COMPOUND NICHIAS CORP (JP) 2023-10-18 EP disclosed
EP-2684859-B1 PREPARATION METHOD FOR FLUORINE-CONTAINING OLEFINS HAVING ORGANIC-GROUP SUBSTITUENTS UNIV OSAKA (JP) 2023-06-14 EP disclosed
CN-114315563-A Process for producing branched carboxylic acid compound 常州大学 2022-04-12 CN disclosed
EP-2543656-B1 METHOD FOR PRODUCING SUBSTITUTED FLUORINE-CONTAINING OLEFIN DAIKIN IND LTD (JP) 2019-09-25 EP disclosed
US-9242911-B2 Preparation method for fluorine-containing olefins having organic-group substituents OSAKA UNIVERSITY (JP) 2016-01-26 US disclosed
US-9067200-B2 Method for producing substituted fluorine-containing olefin DAIKIN INDUSTRIES, LTD. (JP) 2015-06-30 US disclosed
EP-2684859-A1 PREPARATION METHOD FOR FLUORINE-CONTAINING OLEFINS HAVING ORGANIC-GROUP SUBSTITUENTS Osaka University (JP) 2014-01-15 EP disclosed
US-20130324757-A1 PREPARATION METHOD FOR FLUORINE-CONTAINING OLEFINS HAVING ORGANIC-GROUP SUBSTITUENTS DAIKIN INDUSTRIES (JP) 2013-12-05 US disclosed
EP-2543656-A1 METHOD FOR PRODUCING SUBSTITUTED FLUORINE-CONTAINING OLEFIN Daikin Industries, Ltd. (JP) 2013-01-09 EP disclosed
US-20120330072-A1 METHOD FOR PRODUCING SUBSTITUTED FLUORINE-CONTAINING OLEFIN OSAKA UNIVERSITY (JP) 2012-12-27 US disclosed
EP-0123302-B1 BENZOYL-UREAS EXERTING AN INSECTICIDE ACTIVITY Montedison S.p.A. (IT) 1989-03-01 EP disclosed
US-4594451-A Halogen substituted MONTEDISON S.P.A. (IT) 1986-06-10 US disclosed
EP-0123302-A2 Benzoyl-ureas exerting an insecticide activity Montedison S.p.A. (IT) 1984-10-31 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-20120330072-A1 METHOD FOR PRODUCING SUBSTITUTED FLUORINE-CONTAINING OLEFIN FOS, POF1B, FOSB CES1 4572/4885ESR1 1205/4885TSHR 2869/4885
US-20130324757-A1 PREPARATION METHOD FOR FLUORINE-CONTAINING OLEFINS HAVING ORGANIC-GROUP SUBSTITUENTS POF1B, OCIAD2, OGFOD1 CES1 4764/4885ESR1 1518/4885TSHR 1609/4885

“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.