SCHEMBL10102100

SCHEMBL10102100

CC(=O)c1cc(O)c(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
SNCA P37840 2/20 0.40
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
G6PD P11413 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23591285 0.92 SNCA (0.40) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL18015341 0.85 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2HTTHSD17B10NCOA3
SCHEMBL29457564 0.80 HTT (0.52) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL30597489 0.80 KDM4E (0.44) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL26115100 0.80 KDM4E (0.44) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL3459807 0.80 HTT (0.52) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL10958014 0.79 CA1 (0.46) KDM4EMAPTKMT2APOLBSMN1; SMN2
SCHEMBL6744336 0.78 TSHR (0.44) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL12279737 0.77 SMN1; SMN2 (0.48) KDM4EMAPTMEN1KMT2ANSD2
SCHEMBL12109024 0.76 CA12 (0.51) KDM4EMAPTKMT2ASMN1; SMN2CYP3A4

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 KDM4E 4196/4885MAPT 2433/4885MEN1 3782/4885

“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.