SCHEMBL4601842

SCHEMBL4601842

COc1cc(-c2ccc3sc(C(=O)O)cc3c2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 4/20 0.56
▸ F10 P00742 1/20 0.56
▸ TUBB4A P04350 3/20 0.46
▸ TUBB P07437 3/20 0.46
▸ TUBA3C P0DPH7 3/20 0.46
▸ TUBA1B P68363 3/20 0.46
▸ TUBA4A P68366 3/20 0.46
▸ TUBB4B P68371 3/20 0.46
▸ TUBB3 Q13509 3/20 0.46
▸ TUBB2A Q13885 3/20 0.46
▸ TUBB8 Q3ZCM7 3/20 0.46
▸ TUBA3E Q6PEY2 3/20 0.46
▸ TUBA1A Q71U36 3/20 0.46
▸ TUBA1C Q9BQE3 3/20 0.46
▸ TUBB6 Q9BUF5 3/20 0.46
▸ TUBB2B Q9BVA1 3/20 0.46
▸ TUBB1 Q9H4B7 3/20 0.46
▸ BCL2L1 Q07817 1/20 0.45
▸ CLK1 P49759 2/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL3496932 0.82 CLK1 (0.55) F9F10BCL2L1CLK1DYRK1A
SCHEMBL3560308 0.77 HDAC1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3497047 0.77 BCL2L1 (0.53) F9F10BCL2L1CLK1DYRK1A
SCHEMBL22777736 0.76 F9 (0.67) F9F10BCL2L1CLK1DYRK1A
SCHEMBL121331 0.76 F9 (0.67) F9F10BCL2L1CLK1DYRK1A
SCHEMBL1867721 0.75 CLK1 (0.68) BCL2L1CLK1DYRK1ADYRK1B
SCHEMBL4602843 0.75 CFD (0.56) ABCB1ABCC1NEK2CA12CA1
SCHEMBL1589579 0.75 STING1 (0.68) STING1GPR35
SCHEMBL3498323 0.74 ACMSD (0.55) F9F10BCL2L1CLK1DYRK1A
SCHEMBL3498018 0.74 BCL2L1 (0.53) F9F10BCL2L1CLK1DYRK1A

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 F9 1358/4885F10 220/4885TUBB4A 3111/4885

“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.

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