SCHEMBL6461595

SCHEMBL6461595

C#CCc1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
CHRM2 P08172 3/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
CMA1 P23946 1/20 0.50
MAOB P27338 3/20 0.49
SIGMAR1 Q99720 2/20 0.49
AOC3 Q16853 1/20 0.49
LPO P22079 1/20 0.47

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
SCHEMBL10549588 0.88 SMN1; SMN2 (0.56) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5703462 0.81 TAAR1 (0.61) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL362937 0.81 TAAR1 (0.59) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL5957775 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL11503299 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL101334 0.81 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL12484975 0.79 ALDH1A1 (0.50) MAOB
SCHEMBL9292349 0.79 TSHR (0.47) MAOB
SCHEMBL8354908 0.79 CHRM2 (0.62) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL28696933 0.79 CHRM2 (0.62) IDO1AGXTCHRM2CHRM1CHRM3

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
CN-112876507-B Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2022-08-30 CN disclosed
CN-112876507-A Trisubstituted olefin tertiary phosphine compound and preparation method thereof 湖北大学 2021-06-01 CN disclosed
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20050143597-A1 Process for producing carbonyl compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-06-30 US disclosed
US-6121459-A Single pot process for producing (Z)-azabicyclo oxime ethers WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
EP-1021446-A1 SINGLE POT PROCESS FOR PRODUCING (Z)-AZABICYCLO OXIME ETHERS WARNER-LAMBERT COMPANY (US) 2000-07-26 EP disclosed
WO-1998032758-A1 SINGLE POT PROCESS FOR PRODUCING (Z)-AZABICYCLO OXIME ETHERS WARNER-LAMBERT COMPANY (US) 1998-07-30 WO 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-20050143597-A1 Process for producing carbonyl compound MCCC2, CBR3, COASY TAAR1 3593/4885IDO1 1681/4885AGXT 367/4885

“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.