SCHEMBL1235828

SCHEMBL1235828

C=CCCc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
HRH3 Q9Y5N1 3/20 0.47
IDO1 P14902 2/20 0.46
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
DAO P14920 3/20 0.42
ACHE P22303 1/20 0.42
XIAP P98170 1/20 0.39

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
SCHEMBL30076650 1.00 TAAR1 (0.57) TAAR1HRH3IDO1TP53TDP1
SCHEMBL5848061 0.89 TAAR1 (0.53) TAAR1HRH3IDO1TP53TDP1
SCHEMBL30462203 0.89 TAAR1 (0.53) TAAR1HRH3IDO1TP53TDP1
SCHEMBL1985498 0.82 TAAR1 (0.59) TAAR1HRH3IDO1GPR84GPR52
SCHEMBL28686625 0.81 TAAR1 (0.53) TAAR1HRH3IDO1TP53TDP1
SCHEMBL29596752 0.80 TAAR1 (0.74) TAAR1HRH3IDO1GPR84DAO
SCHEMBL8096473 0.80 TAAR1 (0.74) TAAR1HRH3IDO1GPR84DAO
SCHEMBL65650 0.80 TAAR1 (0.57) TAAR1HRH3IDO1GPR84GPR52
SCHEMBL1610976 0.80 TAAR1 (0.57) TAAR1HRH3IDO1GPR84GPR52
SCHEMBL12973205 0.80 TAAR1 (0.57) TAAR1HRH3IDO1GPR84GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN claimed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US claimed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US claimed
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-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP 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-9663440-B2 Cross metathesis of poly-branched poly-olefins MATERIA, INC. (US) 2017-05-30 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
EP-0893245-A1 VULCANIZED MOLDING HAVING SURFACE DECORATIVE LAYER, PAINTED THERMOPLASTIC RESIN COMPOSITION, AND PAINTED ELASTOMER COMPOSITION Mitsui Chemicals, Inc. (JP) 1999-01-27 EP disclosed
EP-0892014-A1 Olefin thermoplastic elastomer composition Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0892013-A1 Unsaturated elastomer compositions and their vulcanized rubbers Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0634427-B1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI CHEMICALS INC (JP) 1998-05-20 EP disclosed
US-5430117-A Nonconjugated diene-vinyl aromatic-α-olefin interpolymers MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-07-04 US disclosed
EP-0634427-A1 Higher alpha-olefin copolymer, process for the preparation of the same, rubber composition comprising the same, and rubber molded product comprising the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 EP disclosed
EP-0111354-B1 ALKYLXYLENE SULPHONATE COMPOUNDS, THEIR PREPARATION AND USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-12-30 EP disclosed
EP-0111354-A1 Alkylxylene sulphonate compounds, their preparation and use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-06-20 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 (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-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 TAAR1 2467/4885HRH3 3844/4885IDO1 3449/4885

“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.