SCHEMBL5936634

SCHEMBL5936634

O=C(Nc1[c]cccc1)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.62
NR1H4 Q96RI1 3/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NR4A2 P43354 2/20 0.56
GUSB P08236 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54
GPR132 Q9UNW8 1/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.53
RAB9A P51151 1/20 0.52
SRD5A2 P31213 1/20 0.51

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
SCHEMBL5936672 0.94 SMPD1 (0.60) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL5936638 0.82 NR1H4 (0.69) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL1123450 0.80 SMPD1 (0.59) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL13702365 0.79 SMPD1 (0.76) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL1122980 0.77 NR1H4 (0.56) SMPD1NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL7410475 0.77 SMPD1 (0.78) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL1608032 0.77 SMPD1 (1.00) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL5936675 0.77 NR1H4 (0.67) SMPD1NR1H4MEN1KMT2AGUSB
SCHEMBL27966079 0.77 NR1H4 (0.71) SMPD1NR1H4MEN1KMT2ANR4A2
SCHEMBL1122713 0.77 NR4A2 (0.94) SMPD1NR1H4MEN1KMT2ANR4A2

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-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG SMPD1 1734/4885NR1H4 160/4885MEN1 4877/4885

“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.