SCHEMBL1996045

SCHEMBL1996045

CCOC(=O)c1c(F)cccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CFTR P13569 2/20 0.52
THRB P10828 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 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
SCHEMBL28391542 0.91 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL20899341 0.89 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL4625647 0.89 TSHR (0.61) CA12CA1CA2CA7CA9
SCHEMBL8218257 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14352262 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1671664 0.88 LMNA (0.58) CA12CA1CA2CA7CA9
SCHEMBL30822598 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL23817383 0.85 KMT2A (0.51) CA12CA1CA2CA7CA9
SCHEMBL28389954 0.85 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL11887386 0.85 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620777-B Preparation method of 2, 6-difluorobenzyl alcohol 江西犇牛医药化工有限公司 2024-02-23 CN claimed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 CN claimed
CN-113620777-A Preparation method of 2, 6-difluorobenzyl alcohol 江西犇牛医药化工有限公司 2021-11-09 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-113620777-B Preparation method of 2, 6-difluorobenzyl alcohol 江西犇牛医药化工有限公司 2024-02-23 CN disclosed
CN-115306376-A Oil-gas well fracturing monitoring reagent, method and application thereof 中国石油天然气股份有限公司 2022-11-08 CN disclosed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 CN disclosed
CN-113620777-A Preparation method of 2, 6-difluorobenzyl alcohol 江西犇牛医药化工有限公司 2021-11-09 CN disclosed
WO-2018057219-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC (US) 2018-03-29 WO disclosed
US-20180080314-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC 2018-03-22 US disclosed
WO-2016184652-A1 METHODS FOR PRODUCING METALATED ORGANIC COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-11-24 WO disclosed
EP-3033342-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2016-06-22 EP disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
US-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US disclosed
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO disclosed
US-4789680-A Aralkyltriazole compounds CIBA-GEIGY CORPORATION (US) 1988-12-06 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 (1 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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 CA12 4549/4885CA1 3038/4885CA2 1086/4885

“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.