SCHEMBL937701

SCHEMBL937701

O=C(Cl)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.72
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
CES1 P23141 1/20 0.41
PSMB11 A5LHX3 2/20 0.40
PSMA7 O14818 2/20 0.40
PSMB1 P20618 2/20 0.40
PSMA1 P25786 2/20 0.40
PSMA2 P25787 2/20 0.40
PSMA3 P25788 2/20 0.40
PSMA4 P25789 2/20 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
SCHEMBL937022 0.85 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30518051 0.85 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL503272 0.82 CES2 (0.75) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2001145 0.81 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2856986 0.81 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31004884 0.81 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8151708 0.81 CES2 (0.47) CES2ALDH1A1TMPRSS4KDRCES1
SCHEMBL927354 0.81 TMPRSS4 (0.50) CES2ALDH1A1KDM4ETMPRSS4KDR
SCHEMBL936738 0.81 CES2 (0.47) CES2ALDH1A1TMPRSS4CES1KMT2A
SCHEMBL283293 0.81 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530465-B2 1, 2-disubstituted amido-anthraquinone derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2013-09-10 US claimed
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof HUANG HSU-SHAN (TW) 2013-03-07 US claimed
US-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 US claimed
EP-3018177-B1 STABILIZATION OF CARBON NANOTUBE COATINGS BATTELLE MEMORIAL INSTITUTE (US) 2023-08-02 EP disclosed
US-10982101-B2 Stabilization of carbon nanotube coatings BATTELLE MEMORIAL INSTITUTE (US) 2021-04-20 US disclosed
US-20200283645-A1 Stabilization of Carbon Nanotube Coatings BATTELLE MEMORIAL INSTITUTE (US) 2020-09-10 US disclosed
US-10570293-B2 Stabilization of carbon nanotube coatings to moisture BATTELLE MEMORIAL INSTITUTE (US) 2020-02-25 US disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 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 (4 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-20110207739-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA1, ANXA5, ANXA2 CES2 4794/4885ALDH1A1 1020/4885HPGD 140/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP CES2 2175/4885ALDH1A1 4684/4885HPGD 3501/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CES2 2175/4885ALDH1A1 4684/4885HPGD 3501/4885
US-20130059862-A1 Novel 1, 2-Disubstituted Amido-anthraquinone Derivatives, Preparation Method and application thereof ANXA5, ANXA1, HCCS CES2 4754/4885ALDH1A1 337/4885HPGD 171/4885

“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.