SCHEMBL5088178

SCHEMBL5088178

COc1cc(SCc2ccccc2)c(C=O)cc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
PRKDC P78527 1/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CTSB P07858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
ERN1 O75460 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36

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
SCHEMBL31172708 0.73 RAB9A (0.46) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3397850 0.72 RAB9A (0.46) LMNAMAPTELANEALDH1A1POLB
SCHEMBL5087499 0.72 LMNA (0.44) LMNAMAPTALDH1A1TSHRMEN1
SCHEMBL29752019 0.72 ALDH1A1 (0.68) LMNAMAPTPRKDCALDH1A1TSHR
SCHEMBL660822 0.71 PRKDC (0.77) LMNAMAPTPRKDCALDH1A1TSHR
SCHEMBL28786078 0.71 PRKDC (0.77) LMNAMAPTPRKDCALDH1A1TSHR
SCHEMBL21738286 0.71 TTR (0.51) MAPTALDH1A1TSHRTDP1HPGD
SCHEMBL31726793 0.71 ALDH1A1 (0.47) LMNAMAPTELANEALDH1A1TSHR
SCHEMBL5091334 0.71 LMNA (0.40) LMNAMAPTELANEALDH1A1TSHR
SCHEMBL9954218 0.70 ALDH1A1 (0.50) LMNAMAPTPRKDCALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 LMNA 1765/4885MAPT 28/4885PRKDC 676/4885

“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.