SCHEMBL21523098

SCHEMBL21523098

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
BCAT2 O15382 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
P2RX7 Q99572 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.50
HSD11B1 P28845 5/20 0.49
EPHX2 P34913 1/20 0.48
CYP17A1 P05093 2/20 0.48
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 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
SCHEMBL21523099 1.00 HPGD (0.61) HPGDBCAT2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4883167 0.80 HPGD (0.61) HPGDP2RX7KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL21523063 0.76 HPGD (0.50) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL1520684 0.76 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL26906281 0.76 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3455848 0.76 HPGD (1.00) HPGDP2RX7KMT2AMEN1POLB
SCHEMBL21531588 0.76 HPGD (0.49) HPGDSMN1; SMN2P2RX7KMT2AMEN1
SCHEMBL7702186 0.74 CYP17A1 (0.74) HPGDP2RX7KMT2AMEN1EPHX2
SCHEMBL3011183 0.74 KDM4E (0.56) SMN1; SMN2P2RX7KMT2AMEN1EPHX2
SCHEMBL13207438 0.73 CYP17A1 (0.54) 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 2 patents. 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
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 2845/4885BCAT2 4386/4885NPC1 2946/4885

“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.