SCHEMBL1299997

SCHEMBL1299997

CCCCCCCCCCCCCCC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
TAAR1 Q96RJ0 3/20 0.48
HTR2A P28223 1/20 0.46
CSNK1E P49674 1/20 0.45
TRPA1 O75762 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44
AOC3 Q16853 1/20 0.44
NAAA Q02083 2/20 0.44
POLB P06746 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL16167490 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
Benzene SCHEMBL27847455 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL5961079 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL3080030 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL1412787 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL508056 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL1581397 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL9746665 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL16167034 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1
SCHEMBL8509010 1.00 RIPK1 (0.52) RIPK1TAAR1HTR2ACSNK1ETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984055-B1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA INC (US) 2018-10-17 EP disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
EP-2984055-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS Materia, Inc. (US) 2016-02-17 EP disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
WO-2014169080-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2014-10-16 WO disclosed
US-8435457-B2 Synthesis of hydrocarbons via catalytic reduction of CO2 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-05-07 US disclosed
US-20110268617-A1 SYNTHESIS OF HYDROCARBONS VIA CATALYTIC REDUCTION OF CO2 THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-11-03 US disclosed
US-8017658-B2 Introducing hydrogen and a feed gas containing at least 50 vol % carbon dioxide into a reactor containing a Fischer-Tropsch catalyst; and heating to at least 190 degrees C. to produce hydrocarbons in the reactor; energy is supplied by non-fossil fuel sources THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-09-13 US disclosed
US-20080051478-A1 SYNTHESIS OF HYDROCARBONS VIA CATALYTIC REDUCTION OF CO2 THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-02-28 US disclosed
WO-1999059942-A1 DIRECT PARAFFIN AND AROMATIC ALKYLATION AND PARAFFIN ISOMERIZATION MOBIL OIL CORPORATION (US) 1999-11-25 WO 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-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 RIPK1 4165/4885TAAR1 3250/4885HTR2A 1012/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 RIPK1 3374/4885TAAR1 2467/4885HTR2A 3630/4885

“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.