SCHEMBL10102093

SCHEMBL10102093

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.53
LMNA P02545 3/20 0.49
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERN1 O75460 5/20 0.35
ALDH1A3 P47895 1/20 0.34
AR P10275 1/20 0.32
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 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
SCHEMBL28786078 0.81 PRKDC (0.77) PRKDCLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL660822 0.81 PRKDC (0.77) PRKDCLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4253285 0.80 PRKDC (0.75) PRKDCLMNAMAPTCYP1A2CYP2C19
SCHEMBL10101852 0.79 MAPT (0.37) PRKDCLMNAMAPTCYP1A2CYP2C9
SCHEMBL16385415 0.79 MAPT (0.36) LMNAMAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL30296814 0.77 ALDH1A1 (0.52) PRKDCLMNAMAPTCYP1A2CYP2C9
SCHEMBL670086 0.76 LMNA (0.77) PRKDCLMNAMAPTCYP1A2CYP2C9
SCHEMBL10018128 0.75 PRKDC (0.54) PRKDCLMNAMAPTCYP1A2CYP2C19
SCHEMBL23783272 0.75 PRKDC (0.61) PRKDCLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL28521484 0.73 PRKDC (0.50) PRKDCLMNAMAPTCYP1A2CYP2C19

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 PRKDC 4488/4885LMNA 2636/4885MAPT 2433/4885

“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.