SCHEMBL4622390

SCHEMBL4622390

O=C1c2ccccc2C(=O)N1CC1OC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CASP3 P42574 3/20 0.41
GLS O94925 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL19329871 0.87 RPS6KA2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1CASP3
SCHEMBL17983321 0.83 ACHE (0.48) CYP1A2CYP2C19CA12CA9ALDH1A1
SCHEMBL17983134 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL17983041 0.81 MGLL (0.44) ALDH1A1MAPT
SCHEMBL17983139 0.80 RGS4 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1ACHE
SCHEMBL17983325 0.79 RAB9A (0.41) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11253482 0.79 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CA12CA9
SCHEMBL9551116 0.79 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CA12CA9
SCHEMBL3785657 0.76 CA12 (0.43) CYP1A2CYP2C9CYP2C19CA12CA9
SCHEMBL17983076 0.76 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CA12CA9

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
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US claimed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US claimed
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US disclosed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
EP-1683791-B1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction SALTIGO GMBH (DE) 2008-04-02 EP disclosed
CN-1817871-A Process for the ruthenium-catalyzed epoxidation of olefins with the aid of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-08-16 CN disclosed
EP-1683791-A1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction Lanxess Deutschland GmbH (DE) 2006-07-26 EP disclosed
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 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-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide PPOX, HAO2, GPX4 CYP1A2 151/4885CYP2C9 391/4885CYP2C19 560/4885

“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.