SCHEMBL2318945

SCHEMBL2318945

O=C(c1ccccc1)C(F)(F)Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.57
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CES2 O00748 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HPGD P15428 3/20 0.39
SRC P12931 1/20 0.39
PLIN1 O60240 1/20 0.39
PLIN5 Q00G26 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39

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
SCHEMBL15114537 0.81 CES1 (0.41) CES1TSHRMAPTLMNAHTT
SCHEMBL2322081 0.78 CES1 (0.59) CES1TSHRMAPTMAPK1CA2
SCHEMBL15116699 0.78 ALDH1A1 (0.42) CES1TSHRMAPTLMNAHTT
SCHEMBL2945879 0.78 MAPT (0.41) CES1TSHRMAPTLMNAHTT
SCHEMBL9772271 0.76 CES1 (0.47) CES1TSHRMAPTLMNAHTT
SCHEMBL9131481 0.74 CES1 (0.41) CES1TSHRMAPTLMNAHTT
SCHEMBL6945056 0.74 CES1 (0.55) CES1TSHRMAPTLMNAMAPK1
SCHEMBL15113921 0.74 POLB (0.41) CES1TSHRMAPTLMNAHTT
SCHEMBL7907262 0.73 CES1 (0.73) CES1TSHRMAPTLMNAMAPK1
SCHEMBL33083 0.73 CES1 (1.00) CES1TSHRALDH1A1CES2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304316-B1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS DAIKIN IND LTD (JP) 2011-08-10 EP disclosed
EP-1304316-B1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS DAIKIN IND LTD (JP) 2011-08-10 EP disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2004-12-09 US disclosed
US-6784327-B2 ORGANIC COMPOUNDS HAVING HYDROGEN ATOMS, WHICH SERVE AS STARTING MATERIALS, ARE FLUORINATED USING IF5 DAIKIN INDUSTRIES, LTD. (JP) 2004-08-31 US disclosed
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2003-09-18 US disclosed
EP-1304316-A1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS Daikin Industries, Ltd. (JP) 2003-04-23 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 (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-20040245505-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 CES1 2686/4885TSHR 2577/4885MAPT 1894/4885
US-20030176747-A1 Process for the production of fluorinated organic compounds and fluorinating agents PFAS, AFF4, AFF1 CES1 2686/4885TSHR 2577/4885MAPT 1894/4885

“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.