SCHEMBL660988

SCHEMBL660988

CCC(O)c1cc(OC(C)C)c(OC)cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PMP22 Q01453 2/20 0.35
LMNA P02545 1/20 0.35
TOP1 P11387 2/20 0.35
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL661243 0.84 MGAM (0.42) GAAMGAMSIMGAM2HTR1A
SCHEMBL10101869 0.83
SCHEMBL31588099 0.75 MGAM (0.53) GAAMGAMSIMGAM2CYP3A4
SCHEMBL7091158 0.75 MGAM (0.53) GAAMGAMSIMGAM2CYP3A4
SCHEMBL662935 0.73 CYP3A4 (0.49) CYP1A2CYP3A4TSHRNFKB1ALDH1A1
SCHEMBL661287 0.72 HMGCR (0.54) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL31081199 0.71 CYP1A2 (0.43) GAAMGAMSIMGAM2CYP1A2
SCHEMBL661281 0.71 CYP1A2 (0.43) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4751365 0.71 HTR2A (0.43) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL661435 0.70 HTT (0.51) CYP3A4ALDH1A1LMNAACHEMAPT

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 6 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-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
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO 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 GAA 2110/4885MGAM 3397/4885SI 1350/4885

“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.