SCHEMBL1355705

SCHEMBL1355705

Oc1ccc([CH]CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
AKR1B10 O60218 3/20 0.47
AKR1B1 P15121 3/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MAOB P27338 1/20 0.47
G6PC1 P35575 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
EGFR P00533 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL7355796 0.90 ESR1 (0.56) TAAR1ESR1ESR2CA12CA4
SCHEMBL1115608 0.85 MAOB (0.46) TAAR1MAOBALDH1A1
SCHEMBL2528043 0.83 TAAR1 (0.50) TAAR1AKR1B10AKR1B1MMP1MMP2
SCHEMBL8709601 0.82 GPR52 (0.49) TAAR1MAOBCA12CA9ALDH1A1
SCHEMBL154597 0.81 TAAR1 (0.53) TAAR1AKR1B10AKR1B1MMP1MMP2
SCHEMBL154598 0.81 TAAR1 (0.53) TAAR1AKR1B10AKR1B1MMP1MMP2
SCHEMBL4091179 0.80 GPR52 (0.50) MAPT
SCHEMBL7814468 0.80 NFE2L2 (0.48) TAAR1MEN1ALDH1A1GAAMAPT
SCHEMBL9219296 0.78 ESR1 (0.48) TAAR1ESR1ESR2ALDH1A1FNTA
SCHEMBL5632468 0.76 GPR52 (0.54) TAAR1G6PC1MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431525-B2 Coelenteramide analogs JNC CORPORATION (JP) 2013-04-30 US disclosed
US-20110288280-A1 COELENTERAMIDE ANALOGS TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-11-24 US disclosed
EP-0349062-A1 Quinoline ether alkanoic acid MERCK FROSST CANADA INC. (CA) 1990-01-03 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-20110288280-A1 COELENTERAMIDE ANALOGS CCKAR, ARSA, SI TAAR1 1378/4885AKR1B10 2279/4885AKR1B1 1810/4885

“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.