SCHEMBL10101852

SCHEMBL10101852

Cc1cc(I)c(C=O)cc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERN1 O75460 3/20 0.35
ALDH1A3 P47895 1/20 0.34
PRKDC P78527 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 1/20 0.31
PDE4B Q07343 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL661869 0.81 ALDH1A1 (0.52) MAPTALDH1A1TSHRKDM4ETDP1
SCHEMBL12082032 0.80 ALDH1A1 (0.53) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10102093 0.79 PRKDC (0.53) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2589156 0.77 LMNA (0.34) LMNA
SCHEMBL30296814 0.77 ALDH1A1 (0.52) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL13556326 0.75 ALDH1A1 (0.41) MAPTCYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL10101864 0.72 IRAK4 (0.38) MAPTALDH1A1TSHRSMN1; SMN2HTR2A
SCHEMBL13475557 0.72 LMNA (0.37) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL13356070 0.71 LMNA (0.35) CYP1A2TSHRHTR2AHTR2CHTR2B
SCHEMBL21558730 0.70 ERN1 (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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 MAPT 2433/4885CYP1A2 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.