SCHEMBL4601717

SCHEMBL4601717

COc1cc(COc2ccsc2C(=O)O)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 1/20 0.59
PTPRC P08575 1/20 0.59
PTPN1 P18031 1/20 0.59
TUBB1 Q9H4B7 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
LMNA P02545 3/20 0.47

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
SCHEMBL4096759 0.78 L3MBTL1 (0.69) L3MBTL1RAB9APTPRCPTPN1KDM4E
SCHEMBL7848089 0.77 ALDH1A1 (0.72) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL834652 0.77 RAB9A (0.50) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL1387886 0.75 ABCB1 (0.58) RAB9ATUBB1TUBB4ATUBBTUBA3C
SCHEMBL6892098 0.74 MEN1 (0.72) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL7821718 0.74 MEN1 (0.72) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL7509958 0.74 L3MBTL1 (1.00) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL1840806 0.73 KMT2A (0.70) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL6292874 0.72 L3MBTL1 (0.54) L3MBTL1RAB9APTPRCPTPN1LMNA
SCHEMBL10397565 0.72 APEX1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R L3MBTL1 1709/4885RAB9A 2725/4885PTPRC 3437/4885

“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.