SCHEMBL10029558

SCHEMBL10029558

COC(=O)Cc1nc(-c2cc(C)cc(C)c2)co1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
HPGD P15428 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 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
SCHEMBL10029561 0.84 RXRA (0.42) KDM4EHPGDRXRARXRBRXRG
SCHEMBL628828 0.81 F2RL3 (0.38) KDM4ELMNAHPGDRXRARXRB
SCHEMBL6647862 0.79 ENPP3 (0.52) KDM4EHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL4183417 0.76 S1PR1 (0.44) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL631613 0.76 RXRA (0.38) GAANPSR1LMNACNR2CNR1
SCHEMBL10029567 0.75 AGBL2 (0.38) KDM4EHPGDRXRARXRBRXRG
SCHEMBL10029560 0.74 TSHR (0.47) HPGDSMN1; SMN2MAPT
SCHEMBL10029556 0.74 LMNA (0.40) KDM4ELMNAALDH1A1
SCHEMBL15711821 0.73 ENPP3 (0.46) KDM4EHSD17B10GAALMNAHPGD
SCHEMBL23135332 0.70 SMN1; SMN2 (0.58) KDM4EHSD17B10NPSR1LMNAHPGD

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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 KDM4E 751/4885HSD17B10 1293/4885GAA 4802/4885

“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.