SCHEMBL5088041

SCHEMBL5088041

COc1ccc(C(=O)c2cc3cc(OC(C)C)c(OC)cc3s2)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PDE4B Q07343 1/20 0.44
ACHE P22303 1/20 0.43
PIN1 Q13526 1/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL31081091 0.82 STING1 (0.56) STING1
SCHEMBL31081089 0.82 STING1 (0.60) STING1
SCHEMBL6000839 0.81 CYP1A2 (0.54) STING1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5026269 0.77 TUBB4A (0.52) STING1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL31081346 0.77 STING1 (0.58) STING1MAPTALDH1A1GAA
SCHEMBL31081126 0.77 STING1 (0.58) STING1MAPTALDH1A1GAA
SCHEMBL31081247 0.77 CLK1 (0.57) STING1ACHE
SCHEMBL25015479 0.75 STING1 (0.88) STING1
SCHEMBL31081240 0.74 STING1 (0.57) STING1ACHE
SCHEMBL31080986 0.74 STING1 (0.70) STING1

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 9 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 claimed
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 claimed
JP-2004528296-A 2004-09-16 JP claimed
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 claimed
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 claimed
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 STING1 4450/4885CYP1A2 3596/4885CYP3A4 3477/4885

“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.