SCHEMBL1004626

SCHEMBL1004626

C=[C]c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
BCHE P06276 1/20 0.38
BCAT1 P54687 1/20 0.33
ALB P02768 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL16959428 0.81 TAAR1 (0.32) CES2CES1TAAR1
SCHEMBL16958919 0.78 CYP1A2 (0.36) TAAR1
SCHEMBL16957556 0.77 CES2 (0.36) CES2CES1
SCHEMBL16952678 0.76 TSHR (0.38)
SCHEMBL16954084 0.76 TSHR (0.38) BCAT1
SCHEMBL16961736 0.76 EGFR (0.31)
SCHEMBL16952233 0.76 ACHE (0.37) CES2CES1TAAR1
SCHEMBL16958809 0.76 CES2 (0.30) CES2CES1
SCHEMBL16955105 0.76
SCHEMBL16956534 0.76 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME CHISSO PETROCHEMICAL CORPORATION (JP) 2014-09-18 US disclosed
EP-1548020-B1 SILICON COMPOUND JNC CORP (JP) 2014-07-23 EP disclosed
US-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA (JP) 2012-08-16 US disclosed
EP-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
US-8173758-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2012-05-08 US disclosed
US-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA 2011-07-21 US disclosed
US-7964692-B2 Polymer obtained by addition-polymerization initiated by a silicon compound JNC CORPORATION (JP) 2011-06-21 US disclosed
US-7939617-B2 Silsesquioxane derivative; electronic material, optical material, optoelectronic material, paint, and primer. CHISSO CORPORATION (JP) 2011-05-10 US disclosed
US-20050288468-A1 Cyclic polysilsequisiloxanes substituted with a group containing a sulfonyl halide, especially ahalosulfonylphenyl group; living radical polymerization initiators, particularly for preparing acrylic polymers JNC CORPORATION (JP) 2005-12-29 US disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed
US-20050215807-A1 Silsesquioxane derivative JNC CORPORATION (JP) 2005-09-29 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
EP-1548020-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-06-29 EP disclosed
US-20050033077-A1 Production process for silicon compound and the same JNC CORPORATION (JP) 2005-02-10 US disclosed
US-20040249103-A1 Silsesquioxane derivatives and process for production thereof JNC CORPORATION (JP) 2004-12-09 US disclosed
EP-1428795-A1 SILSESQUIOXANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2004-06-16 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 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 (6 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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 CES2 2281/4885CES1 3461/4885BCHE 4243/4885
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME PIEZO1, PFAS, MCM6 CES2 3432/4885CES1 1839/4885BCHE 3579/4885
US-20050215807-A1 Silsesquioxane derivative STS, SFXN1, SULT1A1 CES2 462/4885CES1 1338/4885BCHE 2599/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 CES2 2281/4885CES1 3461/4885BCHE 4243/4885
US-20050288468-A1 Cyclic polysilsequisiloxanes substituted with a group containing a sulfonyl halide, especially ahalosulfonylphenyl group; living radical polymerization initiators, particularly for preparing acrylic polymers STS, SULT1A1, SRM CES2 106/4885CES1 81/4885BCHE 3686/4885
US-20050033077-A1 Production process for silicon compound and the same STS, SMS, SFXN1 CES2 1306/4885CES1 853/4885BCHE 2925/4885

“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.