SCHEMBL16167074

SCHEMBL16167074

CC/C=C/c1cccc(C(C)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPOR P19235 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL16167078 1.00 HDAC4 (0.50) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL16167432 0.86 HDAC4 (0.42) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL16167426 0.86 HDAC4 (0.42) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL11518269 0.84 HDAC4 (0.51) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL28831711 0.83 KDM4E (0.39) HDAC4HDAC2HDAC8ALDH1A1HTR2A
SCHEMBL31149192 0.79 NFE2L2 (0.41) HTR2A
SCHEMBL8378966 0.79 HDAC8 (0.49) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL4099672 0.79 HDAC4 (0.53) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL11518546 0.79 HDAC8 (0.49) HDAC4HDAC2HDAC8ALDH1A1USP2
SCHEMBL1006801 0.77 HDAC4 (0.62) HDAC4HDAC2HDAC8ALDH1A1USP2

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 HDAC4 4723/4885HDAC2 3788/4885HDAC8 4201/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 HDAC4 4491/4885HDAC2 4023/4885HDAC8 3522/4885

“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.

Send feedback