SCHEMBL16984604

SCHEMBL16984604

C=CC/C=C\C/C=C\CCCCCCCc1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.51
▸ EPHX2 P34913 5/20 0.51
▸ FAAH O00519 3/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ PPARG P37231 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL13206731 0.88 PPARA (0.58) PPARAEPHX2FAAHCNR1HDAC1
SCHEMBL16984603 0.87 CHRM2 (0.55) PPARAHDAC1HDAC6CHRM2CHRM1
SCHEMBL18794618 0.85 PPARA (0.59) PPARAEPHX2FAAHCNR1PPARG
SCHEMBL21381119 0.85 PPARA (0.68) PPARAEPHX2FAAHHDAC1HDAC6
SCHEMBL19021153 0.85 PPARA (0.68) PPARAEPHX2FAAHHDAC1HDAC6
SCHEMBL21381118 0.85 PPARA (0.68) PPARAEPHX2FAAHHDAC1HDAC6
SCHEMBL26430086 0.84 PPARA (0.55) PPARAEPHX2FAAHCNR1PPARG
SCHEMBL4449661 0.84 PPARA (0.55) PPARAEPHX2FAAHCNR1PPARG
SCHEMBL14167525 0.83 HDAC1 (0.57) PPARAEPHX2FAAHCNR1HDAC1
SCHEMBL13639167 0.83 HDAC1 (0.57) PPARAEPHX2FAAHCNR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908826-B2 Synthetic method UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-03-06 — — US disclosed
US-20170174608-A1 Synthetic Method UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2017-06-22 — — US disclosed
US-20170174608-A1 Synthetic Method UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2017-06-22 — — US disclosed
WO-2015114323-A1 SYNTHETIC METHOD UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2015-08-06 — — 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-20170174608-A1 Synthetic Method SQLE, FDFT1, CYP51A1 PPARA 2617/4885EPHX2 89/4885FAAH 246/4885

“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.

Send feedback