SCHEMBL10102022

SCHEMBL10102022

COC(=O)c1ccc(CO/N=C(\C)c2ccc(C)c(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
CKS1B P61024 1/20 0.45
SKP2 Q13309 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 4/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43

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
SCHEMBL10107282 0.86 MAPT (0.49) HPGDALDH1A1HSD17B10TP53CYP1A2
SCHEMBL10101726 0.85 S1PR1 (0.48) RAB9AMAPTL3MBTL1S1PR1PPARG
SCHEMBL10102038 0.83 SMN1; SMN2 (0.51) CYP1A2RAB9ALMNAL3MBTL1S1PR1
SCHEMBL10102036 0.83 NPC1 (0.50) HPGDRAB9ALMNAL3MBTL1S1PR1
SCHEMBL10101946 0.81 SMN1; SMN2 (0.48) ALDH1A1RAB9AMAPTL3MBTL1S1PR1
SCHEMBL10102085 0.80 NPC1 (0.64) ALDH1A1RAB9AMAPTL3MBTL1S1PR1
SCHEMBL10101746 0.80 S1PR1 (0.43) RAB9ALMNAL3MBTL1S1PR1PPARG
SCHEMBL10102075 0.79 MAOA (0.44) RAB9ALMNAL3MBTL1S1PR1PPARG
SCHEMBL10102056 0.78 SMN1; SMN2 (0.44) RAB9ALMNAL3MBTL1S1PR1CA12
SCHEMBL10101740 0.77 NPC1 (0.48) RAB9AL3MBTL1PPARGPPARANPC1

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 HPGD 158/4885ALDH1A1 2237/4885HSD17B10 180/4885

“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.