SCHEMBL10102162

SCHEMBL10102162

Cc1ccc(C(O)C2CCC3(CC2)OCCO3)cc1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PYGL P06737 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
C5AR1 P21730 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL658699 0.87 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNPSR1
SCHEMBL10102164 0.77 ACHE (0.36) PDE4DPDE4APDE4BPDE4CBCHE
SCHEMBL8990452 0.71 TSHR (0.43) NPSR1L3MBTL1POLBALDH1A1CYP3A4
SCHEMBL10101859 0.70 UGT2B7 (0.41) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL10101848 0.70 ACHE (0.43) BCHEACHECYP3A4
SCHEMBL10102167 0.68 ESR2 (0.46) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL8990296 0.68 PNMT (0.46)
SCHEMBL12160695 0.67 LMNA (0.52) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL25180344 0.66 ACHE (0.41) BCHEACHECYP3A4
SCHEMBL2200088 0.65 SMN1; SMN2 (0.35) L3MBTL1MAPK1

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 SYK 3399/4885PDE4D 1364/4885PDE4A 561/4885

“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.