SCHEMBL23955997

SCHEMBL23955997

C[SH](C)C1=C(c2ccccc2)c2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ KDR P35968 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL11546612 0.75 MAOA (0.40) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL132494 0.72 ESR2 (0.59) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL28338218 0.71 MAOA (0.40) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL23738688 0.71 CYP2A6 (0.41) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL15679182 0.71 MAPK1 (0.41) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL29960895 0.70 KDR (0.39) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL23955976 0.70 PTGS2 (0.42) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL21840765 0.70 KDR (0.39) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL20528880 0.70 MAOA (0.36) MAOAPTGS2KDRADORA2AADORA1
SCHEMBL11547814 0.70 CDC25A (0.43) MAOAPTGS2KDRADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155659-B2 Dimethyl-silyl-bridged-1-substituted-2-indenyl metallocene complexes for olefin polymerization SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-10-26 — — 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-11155659-B2 Dimethyl-silyl-bridged-1-substituted-2-indenyl metallocene complexes for olefin polymerization RPS10, ARL1, OR10J3 MAOA 1454/4885PTGS2 3692/4885KDR 1540/4885

“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.

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