SCHEMBL3370877

SCHEMBL3370877

O=C(O)c1c(C(F)(F)F)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
GLA P06280 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
WDR5 P61964 1/20 0.46
KCNJ11 Q14654 6/20 0.46
METAP2 P50579 2/20 0.45
METAP1 P53582 1/20 0.45
LDHA P00338 1/20 0.44
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ8 Q15842 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44

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
SCHEMBL3368588 0.85 ALDH1A1 (0.53) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL10587314 0.84 KDM4E (0.46) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL3371673 0.84 HSD17B10 (0.55) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL7653548 0.83 KDM4E (0.47) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL7650892 0.82 KDM4E (0.46) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL3369592 0.82 HPGD (0.53) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL3369494 0.82 HSD17B10 (0.53) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL974719 0.82 HSD17B10 (0.53) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL7653270 0.81 KDM4E (0.45) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL7655987 0.81 KDM4E (0.45) HPGDKDM4EMEN1KMT2AALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6383274-B1 Ink jet ink compositions and printing processes XEROX CORPORATION 2002-05-07 US claimed
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
CN-103443099-B Regulate composition and the method for FXR NOVARTIS AG (CH) 2016-03-23 CN disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
CN-103443099-A Compositions and methods for modulating FXR IRM LLC 2013-12-11 CN disclosed
CN-103370315-A Compositions and methods for modulating farnesoid x receptors IRM LLC 2013-10-23 CN disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-6383274-B1 Ink jet ink compositions and printing processes XEROX CORPORATION 2002-05-07 US disclosed
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed
EP-0307519-B1 Perfluoroalkylation process ETHYL CORPORATION (US) 1991-04-17 EP disclosed
EP-0307519-A1 Perfluoroalkylation process ETHYL CORPORATION (US) 1989-03-22 EP disclosed
US-4814482-A Trifluoromethylation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
US-4814480-A Trifluoromethylation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
US-4808748-A Trifluoromethylation process ETHYL CORPORATION (US) 1989-02-28 US disclosed
US-4324681-A Chiral supports for resolution of racemates UOP INC. (US) 1982-04-13 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A HPGD 2165/4885KDM4E 1421/4885MEN1 1733/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A HPGD 1953/4885KDM4E 2044/4885MEN1 1777/4885

“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.