SCHEMBL1045008

SCHEMBL1045008

CCCC(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
KIF11 P52732 1/20 0.51
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PRSS1 P07477 1/20 0.42

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
SCHEMBL1999397 0.90 KIF11 (0.49) BCL9CTNNB1KIF11KMT2AALDH1A1
SCHEMBL25311037 0.89 KIF11 (0.58) KIF11KMT2AALDH1A1MAPTLMNA
SCHEMBL29268065 0.88 BCL9 (0.54) BCL9CTNNB1KIF11KMT2AALDH1A1
SCHEMBL31346764 0.87 KMT2A (0.56) BCL9CTNNB1KIF11KMT2AALDH1A1
SCHEMBL1294868 0.86 KMT2A (0.58) KIF11KMT2AALDH1A1MAPTLMNA
SCHEMBL11023644 0.85 BCL9 (0.70) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL29485664 0.85 ALDH1A1 (0.73) KIF11KMT2AALDH1A1MAPTLMNA
SCHEMBL13621253 0.84 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL23343706 0.84 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL13724130 0.84 KIF11 (0.53) KIF11KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-2275395-B1 Copper-catalyzed formation of carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-09 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
CN-102186921-B Fluorine-containing copolymer composition and process for production thereof ASAHI GLASS CO LTD 2014-01-15 CN disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
CN-102186921-A Fluorine-containing copolymer composition and process for production thereof ASAHI GLASS CO LTD 2011-09-14 CN 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
EP-2275395-A2 Copper-catalyzed formation of carbon-carbon bonds Massachusetts Institute of Technology (MIT) (US) 2011-01-19 EP disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 BCL9 3438/4885CTNNB1 2225/4885KIF11 2908/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 BCL9 3438/4885CTNNB1 2225/4885KIF11 2908/4885

“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.