SCHEMBL16167358

SCHEMBL16167358

CCC=Cc1cccc(OC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ BCHE P06276 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ ALOX5AP P20292 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ TTR P02766 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46

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
SCHEMBL16167352 1.00 CYP3A4 (0.51) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL28424635 0.88 KDM4E (0.50) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL6881641 0.88 BCHE (0.52) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL6881643 0.88 BCHE (0.52) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL6792463 0.84 KDM4E (0.46) BCHEALOX5ALOX5APPTGS1PTGS2
SCHEMBL4138068 0.83 PPARA (0.47) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL23343707 0.82 CYP3A4 (0.56) CYP3A4LMNABCHEALOX5KDM4E
SCHEMBL716895 0.82 KMT2A (0.60) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL716894 0.82 KMT2A (0.60) CYP3A4LMNABCHEALOX5ALOX5AP
SCHEMBL27518862 0.82 CYP3A4 (0.56) CYP3A4LMNABCHEKDM4ESMN1; SMN2

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 CYP3A4 398/4885LMNA 1872/4885BCHE 639/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 CYP3A4 915/4885LMNA 1327/4885BCHE 1188/4885

“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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