SCHEMBL660373

SCHEMBL660373

CCC1CCC(C(OCOC)c2ccc(OC)c(OC(C)C)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 7/20 0.34
PDE4D Q08499 3/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.33
EPAS1 Q99814 2/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL10106834 0.88 HIF1A (0.35) HIF1ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14042392 0.82 HIF1A (0.38) HIF1ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL661285 0.81 PDE4D (0.46) HIF1ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL661916 0.80 REN (0.32)
SCHEMBL661651 0.78 CYP3A4 (0.35) PDE4BPDE4DPDE4APDE4CSMN1; SMN2
SCHEMBL10106836 0.77 ESR2 (0.41) HIF1ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14042202 0.77 FFAR1 (0.33) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL10102174 0.76 BCHE (0.31) L3MBTL1
SCHEMBL11951618 0.67 ALDH1A1 (0.47) HIF1ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL662935 0.67 CYP3A4 (0.49) HIF1ACYP1A2CYP2C9CYP2C19KMT2A

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 HIF1A 1708/4885CYP1A2 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.