SCHEMBL1994068

SCHEMBL1994068

CCOC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HPGD P15428 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL30786693 1.00 CES2 (0.61) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL27425778 0.93 MAPT (0.55) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL7471216 0.91 MAPT (0.54) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL2694877 0.90 TAS1R3 (0.53) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL28017646 0.89 CYP4F2 (0.50) CES2ALDH1A1POLBLMNAMAPT
SCHEMBL23817363 0.88 CES2 (0.54) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL31575815 0.87 LMNA (0.60) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL20267329 0.87 LMNA (0.60) CES2ALDH1A1POLBNPSR1LMNA
SCHEMBL9937464 0.87 RAB9A (0.61) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1787779 0.87 ACHE (0.57) ALDH1A1POLBKMT2ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
CN-110272344-B Camphorylimidazole type ionic liquid and preparation method and application thereof 南京林业大学 2021-08-10 CN disclosed
CN-107004768-B Organic semiconductor composition containing a liquid medium 巴斯夫欧洲公司 2020-08-21 CN disclosed
US-10454037-B2 Organic semiconductor composition comprising a liquid medium BASF SE (DE) 2019-10-22 US disclosed
CN-110272344-A A kind of camphoryl imidazole type ion liquid and its preparation method and application 南京林业大学 2019-09-24 CN disclosed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US disclosed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-6610697-B1 Treating rheumatoid arthritis ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-26 US disclosed
CN-1342162-A Substituted 2-acyl-3-(heteroaryl)-imidazo [1,2-a] pyrimidines, and related pharmaceutical compoistions and methods ORTHO MCNEIL PHARM INC (US) 2002-03-27 CN disclosed
EP-1140939-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-10 EP disclosed
WO-2001034605-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-a]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-05-17 WO disclosed
US-4910206-A Endotoxin induced lung injury SANDOZ PHARMACEUTICALS CORP. (US) 1990-03-20 US disclosed
US-4322429-A Isoxazolylbenzamides as insecticides ELI LILLY AND COMPANY (US) 1982-03-30 US disclosed
EP-0048162-A1 Isoxazolylbenzamides ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-4140859-A Dilithiated 2-(o-tolyl)-2-imidazolines SANDOZ, INC. (US) 1979-02-20 US disclosed
US-4101553-A Imidazo[2,1-a]isoquinolines SANDOZ, INC. (US) 1978-07-18 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-10454037-B2 Organic semiconductor composition comprising a liquid medium CRY1, NEFM, OR10J3 CES2 4077/4885ALDH1A1 4298/4885POLB 1747/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR CES2 3220/4885ALDH1A1 4757/4885POLB 1829/4885

“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.