SCHEMBL16167348

SCHEMBL16167348

CCCCC/C=C/C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP3A4 P08684 8/20 0.48
CYP2C9 P11712 8/20 0.48
TSHR P16473 8/20 0.48
CYP2C19 P33261 8/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP2D6 P10635 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 2/20 0.41
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
GMNN O75496 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL16167350 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167393 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167394 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167467 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17764771 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167086 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167332 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16166876 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167176 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16167039 0.98 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 CYP1A2 59/4885CYP3A4 398/4885CYP2C9 453/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 CYP1A2 275/4885CYP3A4 915/4885CYP2C9 1601/4885

“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.