SCHEMBL1004400

SCHEMBL1004400

[CH2]C(C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL9808164 0.81 IDO1 (0.43) ACHECYP3A4IDO1TDO2CES2
SCHEMBL16953033 0.81 CES2 (0.43) ACHECYP3A4CES2CES1MEN1
SCHEMBL9461726 0.81 GABRA1 (0.43) ACHECYP3A4MEN1MAPTCYP2C9
SCHEMBL16959721 0.79 ACHE (0.36) ACHECYP3A4CES2CES1ALDH1A1
SCHEMBL31852251 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL84442 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL15903486 0.79 ACHE (0.43) ACHECYP3A4IDO1TDO2CES2
SCHEMBL16953380 0.78 CYP1A2 (0.39) ACHECYP3A4CES2CES1ALDH1A1
SCHEMBL16961139 0.78 FAAH (0.32) ACHECYP3A4CES2CES1GABRA1
SCHEMBL28763013 0.76 IDO1 (0.41) ACHECYP3A4IDO1TDO2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012163959-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-12-06 WO 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-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0923572-A1 AMINOCYCLOHEXANE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-06-23 EP disclosed
EP-0863895-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-16 EP disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1998003504-A1 AMINOCYCLOHEXANE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1998-01-29 WO disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
WO-1997018203-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
EP-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 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 (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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 ACHE 3650/4885CYP3A4 1759/4885IDO1 4256/4885
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME PIEZO1, PFAS, MCM6 ACHE 1979/4885CYP3A4 1025/4885IDO1 4399/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 ACHE 3650/4885CYP3A4 1759/4885IDO1 4256/4885

“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.