SCHEMBL16167378

SCHEMBL16167378

CCC=Cc1cccc(CCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PLAU P00749 1/20 0.35
KIF11 P52732 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
MEN1 O00255 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
SCHEMBL16167373 1.00 CYP4F2 (0.47) CYP4F2CYP4A11HDAC4MEF2DCNR1
SCHEMBL8434084 0.95 CYP4F2 (0.43) CYP4F2CYP4A11HDAC4MEF2DCNR1
SCHEMBL16167057 0.89 HDAC4 (0.48) CYP4F2CYP4A11HDAC4MEF2DLPL
SCHEMBL16167061 0.89 HDAC4 (0.48) CYP4F2CYP4A11HDAC4MEF2DLPL
SCHEMBL27875964 0.87 CYP4F2 (0.46) CYP4F2CYP4A11HDAC4MEF2DCNR1
Ammonia Solution, Strong SCHEMBL27776481 0.86 CYP4F2 (0.44) CYP4F2CYP4A11HDAC4MEF2DCNR1
SCHEMBL16167524 0.85 HDAC4 (0.43) CYP4F2CYP4A11HDAC4MEF2D
SCHEMBL16167528 0.85 HDAC4 (0.43) CYP4F2CYP4A11HDAC4MEF2D
SCHEMBL30189129 0.83 CYP4F2 (0.41) CYP4F2CYP4A11HDAC4MEF2DCNR1
SCHEMBL28699652 0.83 CYP4F2 (0.41) CYP4F2CYP4A11HDAC4MEF2DCNR1

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 8 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-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-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

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 CYP4F2 849/4885CYP4A11 373/4885HDAC4 4723/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 CYP4F2 2186/4885CYP4A11 947/4885HDAC4 4491/4885

“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.