SCHEMBL21940190

SCHEMBL21940190

O=C(O)c1ccc(-c2ccc(CN(Cc3ccccc3)CC3CCCCC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.66
▸ ALOX5 P09917 3/20 0.56
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ TAS2R14 Q9NYV8 1/20 0.49
▸ LPAR1 Q92633 3/20 0.47
▸ LPAR5 Q9H1C0 3/20 0.47
▸ RORC P51449 1/20 0.47
▸ SRD5A2 P31213 1/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ OPRK1 P41145 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MEP1B Q16820 1/20 0.44
▸ AGER Q15109 3/20 0.44
▸ MTNR1A P48039 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL3112717 0.93 PTGES (0.59) PTGESALOX5HDAC1HDAC6TAS2R14
Trifluoroacetic Acid SCHEMBL3128564 0.86 PTGES (0.54) PTGESALOX5HDAC1HDAC6OPRM1
SCHEMBL5722096 0.83 OPRM1 (0.61) HDAC1HDAC6RORCOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL3127389 0.83 CHRNB2 (0.49) PTGESALOX5HDAC1HDAC6TAS2R14
SCHEMBL21940191 0.81 SRD5A2 (0.61) PTGESALOX5TAS2R14SRD5A2KMT2A
SCHEMBL13658165 0.80 HRH3 (0.53) PTGESRORCOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3126972 0.79 PTGES (0.49) PTGESALOX5TAS2R14RORCKMT2A
Trifluoroacetic Acid SCHEMBL3113437 0.78 OPRM1 (0.50) PTGESALOX5OPRM1OPRD1OPRK1
SCHEMBL7721337 0.76 OPRM1 (0.50) HDAC1HDAC6RORCOPRM1OPRD1
SCHEMBL30093246 0.76 OPRM1 (0.57) HDAC1HDAC6RORCOPRM1OPRD1

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 — — 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 PTGES 1053/4885ALOX5 1656/4885HDAC1 401/4885

“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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