SCHEMBL661554

SCHEMBL661554

COc1ccc(C(O)C2C=CC(=O)CC2)cc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 3/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 7/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL4808664 0.83 PDE4A (0.43) HPGDPDE4BPDE4APDE4CPDE4D
SCHEMBL661555 0.79 PDE4B (0.45) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL14042199 0.71 HIF1A (0.46) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL661285 0.71 PDE4D (0.46) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL661734 0.70 CYP1A2 (0.51) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL658699 0.68 PDE4D (0.43) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL10107050 0.68 ESR2 (0.44) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL11951618 0.67 ALDH1A1 (0.47) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL662935 0.67 CYP3A4 (0.49) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL10102164 0.65 ACHE (0.36) KMT2AL3MBTL1ALDH1A1GAAMAPT

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 KMT2A 4832/4885CYP1A2 418/4885CYP2C9 1486/4885

“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.