SCHEMBL8428152

SCHEMBL8428152

COc1ccc(SC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL23323067 0.98 MAOA (0.53) MAOAMAOBDDB1CRBNRAB9A
SCHEMBL8442255 0.96 DDB1 (0.49) MAOAMAOBDDB1CRBNRAB9A
SCHEMBL1186647 0.92 DDB1 (0.51) MAOAMAOBDDB1CRBNCA12
SCHEMBL17374509 0.83 DDB1 (0.45) DDB1CRBNALDH1A1CA12CA1
SCHEMBL8428605 0.83 TDP1 (0.50) MAOAMAOBDDB1CRBNALDH1A1
SCHEMBL23295277 0.82 MAOA (0.65) MAOAMAOBDDB1CRBNALDH1A1
SCHEMBL19869109 0.81 RAB9A (0.42) DDB1CRBNRAB9ANPC1ALDH1A1
SCHEMBL8425287 0.77 MAOA (0.47) MAOAMAOBALDH1A1SMN1; SMN2LMNA
SCHEMBL8361627 0.77 MAOA (0.55) MAOAMAOBDDB1CRBNRAB9A
SCHEMBL9264575 0.77 HTT (0.47) DDB1CRBNRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591207-B Synthesis method of cycloalkyl aryl thioether compound 台州学院 2024-03-26 CN disclosed
CN-114591207-A Synthetic method of naphthenic base aryl thioether compound 台州学院 2022-06-07 CN disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 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-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 MAOA 38/4885MAOB 35/4885DDB1 1738/4885

“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.