SCHEMBL9493702

SCHEMBL9493702

CC=C(C)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
HPGD P15428 2/20 0.48
NLRP1 Q9C000 1/20 0.48
MEN1 O00255 1/20 0.48
NTSR1 P30989 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
ACHE P22303 2/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9493698 1.00 ALDH1A1 (0.48) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL19903965 1.00 ALDH1A1 (0.48) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL11414658 0.88 ESR1 (0.46) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL11414654 0.88 ESR1 (0.46) ALDH1A1HTTNPSR1LMNAPKM
SCHEMBL18771006 0.85 TSHR (0.43) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL23458240 0.83 ALDH1A1 (0.48) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL20179477 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL8670406 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL18618524 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HTTNPSR1LMNA
SCHEMBL8670402 0.79 ALDH1A1 (0.44) ALDH1A1TDP1HTTNPSR1LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984055-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS Materia, Inc. (US) 2016-02-17 EP claimed
WO-2014169080-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2014-10-16 WO claimed
CN-110903172-B Method for stereoselectively synthesizing (E) -tri-substituted olefin 温州大学 2021-08-24 CN disclosed
CN-109852444-B Preparation method of gasoline octane number improver 山东聚兴新材料科技有限公司 2021-01-29 CN disclosed
CN-109852443-B Gasoline octane number improver and preparation method thereof 山东聚兴新材料科技有限公司 2021-01-29 CN disclosed
CN-110903172-A Method for stereoselectively synthesizing (E) -tri-substituted olefin 温州大学 2020-03-24 CN disclosed
CN-109852444-A A kind of preparation method of Gasoline octane number enhancer 山东聚兴新材料科技有限公司 2019-06-07 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
WO-2014169055-A9 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2015-09-24 WO 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
WO-2014169055-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. (US) 2014-10-16 WO disclosed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US 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 (1 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 ALDH1A1 1887/4885TDP1 3068/4885HTT 1047/4885

“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.