SCHEMBL4935172

SCHEMBL4935172

O=C(c1cccc(F)c1F)C(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.68
CES1 P23141 8/20 0.68
BCHE P06276 1/20 0.53
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.47
KAT6A Q92794 1/20 0.43
HPGD P15428 2/20 0.42
ALB P02768 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL30013497 0.87 CES2 (0.68) CES2CES1LMNAMEN1KMT2A
SCHEMBL650572 0.87 CES2 (0.68) CES2CES1LMNAMEN1KMT2A
SCHEMBL2511292 0.86 CES2 (0.65) CES2CES1BCHELMNAMEN1
SCHEMBL30716847 0.85 ALB (0.58) CES2CES1BCHELMNAMEN1
SCHEMBL28137004 0.83 CES2 (0.50) CES2CES1BCHELMNAMEN1
SCHEMBL28868999 0.83 CES2 (0.50) CES2CES1BCHELMNAMEN1
SCHEMBL28956589 0.83 CES2 (0.50) CES2CES1BCHELMNAMEN1
SCHEMBL27428737 0.83 CES2 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL27913742 0.83 CES2 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL8800486 0.82 CES2 (0.49) CES2CES1BCHELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002067304-A1 A METHOD OF FORMING RESIST PATTERNS IN A SEMICONDUCTOR DEVICE AND A SEMICONDUCTOR WASHING LIQUID USED IN SAID METHOD HYON MAN-SOK (KR) 2002-08-29 WO claimed
CN-215139804-U Synthetic reaction device of 2,6 difluorobenzoic acid methyl ester 江西华兴化工有限公司 2021-12-14 CN disclosed
CN-112158831-A Photoactive modified graphene and preparation method and application thereof 胥彩虹 2021-01-01 CN disclosed
EP-3463723-A1 SYNTHESIS OF ULTRA-THIN METAL NANOWIRES USING ORGANIC FREE RADICALS The Regents of The University of California (US) 2019-04-10 EP disclosed
CN-109475943-A Superfine metal nano wire is synthesized with organic free radical 加利福尼亚大学董事会 2019-03-15 CN disclosed
CN-108290925-A Gelatinase inhibitor and application thereof 艾普罗特斯公司 2018-07-17 CN disclosed
CN-107954851-A A kind of synthetic method of medicine intermediate 2,4 difluorobenzene formic acid 苏州盖德精细材料有限公司 2018-04-24 CN disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7317031-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 US disclosed
US-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors LIN RONGHUI (US) 2005-08-18 US disclosed
US-6924302-B2 Substituted triazole diamine derivatives as kinase inhibitors ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-02 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US disclosed
US-4176222-A BY HEATING A BISPHENOL, DIHALOBENZENOID COMPOUND WITH SODIUM CARBONATE OR BICARBONATE AND A SECOND ALKALI METAL CARBONATE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-11-27 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 (3 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B CES2 4792/4885CES1 3194/4885BCHE 3939/4885
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 CES2 3209/4885CES1 1441/4885BCHE 50/4885
US-20050182116-A1 Substituted triazole diamine derivatives as kinase inhibitors MAP2K2, PRKDC, MAP2K3 CES2 3344/4885CES1 2839/4885BCHE 4198/4885

“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.