SCHEMBL1003777

SCHEMBL1003777

C=CCc1ccccc1[CH]C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL16361680 0.83 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL30679 0.82 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL3297831 0.82 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL23070252 0.81 GABRA1 (0.42) GABRA1GABRB2MEN1KMT2AAKR1B1
Methane SCHEMBL28621463 0.80 GABRA1 (0.45) GABRA1GABRB2MEN1KMT2AAKR1B1
Charcoal, Activated SCHEMBL9723291 0.80 GABRA1 (0.45) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL10429393 0.80 GABRA1 (0.50) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL7911646 0.80 GABRA1 (0.45) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL10339711 0.80 GABRA1 (0.45) GABRA1GABRB2MEN1KMT2AAKR1B1
SCHEMBL7125533 0.78 GABRA1 (0.44) GABRA1GABRB2MEN1KMT2AAKR1B1

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 57 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
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-7863396-B2 Silicon compounds CHISSO CORPORATION (JP) 2011-01-04 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US 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
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 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
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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 (5 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 GABRA1 1426/4885GABRB2 1907/4885MEN1 997/4885
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME PIEZO1, PFAS, MCM6 GABRA1 1815/4885GABRB2 2316/4885MEN1 2051/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 GABRA1 1925/4885GABRB2 928/4885MEN1 2134/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 GABRA1 1426/4885GABRB2 1907/4885MEN1 997/4885
US-20050033077-A1 Production process for silicon compound and the same STS, SMS, SFXN1 GABRA1 4031/4885GABRB2 4368/4885MEN1 1149/4885

“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.