SCHEMBL16167355

SCHEMBL16167355

C=CCCc1cccc(OC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.53
▸ CYP3A4 P08684 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PARP1 P09874 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PPARA Q07869 1/20 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
SCHEMBL6376287 0.84 PTGS1 (0.56) ACHECYP3A4LMNAPARP1MEN1
SCHEMBL289959 0.84 CYP3A4 (0.49) ACHECYP3A4LMNAPARP1MTNR1A
SCHEMBL21225979 0.81 ALOX5 (0.57) ACHECYP3A4LMNAPARP1MTNR1A
SCHEMBL715536 0.81 CYP3A4 (0.56) ACHECYP3A4LMNAPARP1CNR2
SCHEMBL1561685 0.81 CYP3A4 (0.56) ACHECYP3A4LMNAPARP1MTNR1A
SCHEMBL9132980 0.81 THRB (0.54) ACHECYP3A4LMNAMEN1KMT2A
SCHEMBL4449661 0.81 PPARA (0.55) ACHEPPARA
SCHEMBL26430086 0.81 PPARA (0.55) ACHEPPARA
SCHEMBL11857369 0.80 ACHE (0.46) ACHECYP3A4LMNAPARP1MTNR1A
SCHEMBL13314605 0.80 ALDH1A1 (0.55) ACHECYP3A4LMNAPARP1MTNR1A

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 ACHE 2620/4885CYP3A4 398/4885LMNA 1872/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 ACHE 3166/4885CYP3A4 915/4885LMNA 1327/4885

“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.

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