SCHEMBL2768533

SCHEMBL2768533

CCCCCC=C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PTGS2 P35354 1/20 0.43
NAAA Q02083 1/20 0.42
EP300 Q09472 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL2768530 1.00 TBXAS1 (0.48) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL2768526 1.00 TBXAS1 (0.48) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167351 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167375 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167353 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167155 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167208 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167372 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167384 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA
SCHEMBL16167083 0.98 TBXAS1 (0.47) TBXAS1CES2CES1PTGS2NAAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824952-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-28 EP claimed
CN-114051497-B Chromene compounds and photochromic optical articles 株式会社德山 2024-06-28 CN disclosed
CN-113543753-B Method for absorbing or discharging moisture in ophthalmic medical device and ophthalmic medical device 国立大学法人东北大学 2024-04-19 CN disclosed
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
US-9238715-B2 Polymerizable composition for ophthalmic and medical use and antimicrobial composition obtained by polymerizing the polymerizable composition NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-01-19 US 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
US-20140163133-A1 POLYMERIZABLE COMPOSITION FOR OPHTHALMIC AND MEDICAL USE AND ANTIMICROBIAL COMPOSITION OBTAINED BY POLYMERIZING THE POLYMERIZABLE COMPOSITION MENICON CO., LTD (JP) 2014-06-12 US disclosed
EP-2578244-A1 POLYMERIZABLE COMPOSITION FOR OPHTHALMIC AND MEDICAL USE AND ANTIBACTERIAL COMPOSITION OBTAINED BY POLYMERIZING SAME Nanyang Technological University (SG) 2013-04-10 EP 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 TBXAS1 335/4885CES2 249/4885CES1 437/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 TBXAS1 252/4885CES2 378/4885CES1 592/4885

“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.