SCHEMBL17027802

SCHEMBL17027802

C=CCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.47
GPR52 Q9Y2T5 2/20 0.46
GPR84 Q9NQS5 1/20 0.45
PTGS2 P35354 1/20 0.43
GGPS1 O95749 2/20 0.39
AOC3 Q16853 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP19A1 P11511 1/20 0.39
BACE1 P56817 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PRKCI P41743 1/20 0.38
AKR1B1 P15121 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL4444152 0.86 PTGS2 (0.40) AGXTGPR52GPR84PTGS2GGPS1
SCHEMBL27522397 0.84 PTGS2 (0.39) AGXTGPR52GPR84PTGS2MAOB
SCHEMBL3153258 0.82 ESR1 (0.44) GPR52HRH3BACE1FFAR4TAAR1
SCHEMBL10639413 0.82 FFAR1 (0.48) AGXTGPR52GPR84FFAR1TAAR1
SCHEMBL49747 0.81 ALDH1A1 (0.48) GPR52MAOAMAOBTAAR1
SCHEMBL418611 0.81 GPR52 (0.50) AGXTGPR52GPR84GGPS1AOC3
SCHEMBL19759484 0.80 MAOA (0.35) GPR52GPR84MAOAMAOB
SCHEMBL5629303 0.80 PTGS2 (0.60) AGXTGPR84PTGS2GGPS1AOC3
SCHEMBL16681696 0.79 ALDH1A1 (0.46) GPR52MAOAMAOBTAAR1
Ammonia Solution, Strong SCHEMBL11487919 0.79 ALDH1A1 (0.46) GPR52MAOAMAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109385021-A A kind of compositions of thermosetting resin and prepreg and metal-clad laminate using its production 广东生益科技股份有限公司 2019-02-26 CN disclosed
CN-109385020-A A kind of compositions of thermosetting resin and prepreg and metal-clad laminate using its production 广东生益科技股份有限公司 2019-02-26 CN disclosed
CN-109385018-A A kind of compositions of thermosetting resin and prepreg and metal-clad laminate using its production 广东生益科技股份有限公司 2019-02-26 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
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
CN-1914239-B Curable resin composition NIPPON STEEL CHEMICAL CO 2010-05-05 CN disclosed
CN-1914239-A Curable resin composition NIPPON STEEL CHEMICAL CO (JP) 2007-02-14 CN 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 AGXT 743/4885GPR52 2922/4885GPR84 3095/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 AGXT 1557/4885GPR52 3419/4885GPR84 2964/4885

“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.