SCHEMBL21523077

SCHEMBL21523077

O=C(NC[CH]c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
P2RX7 Q99572 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.51
HSD11B1 P28845 5/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP17A1 P05093 2/20 0.49
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3455848 0.77 HPGD (1.00) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL7661017 0.75 HPGD (0.54) HPGDP2RX7KMT2AMEN1LMNA
SCHEMBL7705995 0.74 P2RX7 (0.71) HPGDP2RX7KMT2AMEN1LMNA
SCHEMBL21523098 0.72 HPGD (0.61) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL21523099 0.72 HPGD (0.61) HPGDP2RX7KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL4883167 0.72 HPGD (0.61) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL25190275 0.71 HPGD (0.81) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL8621356 0.71 HPGD (0.76) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL12218242 0.71 HPGD (0.68) HPGDP2RX7KMT2AMEN1HSD11B1
SCHEMBL22190932 0.71 HPGD (0.67) HPGDP2RX7KMT2AMEN1POLB

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-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP HPGD 2845/4885P2RX7 316/4885KMT2A 3449/4885

“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.