SCHEMBL4601281

SCHEMBL4601281

COc1cc(COc2cccc(CCC(=O)O)c2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.60
ABCB1 P08183 1/20 0.57
TUBB1 Q9H4B7 2/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
FFAR4 Q5NUL3 3/20 0.54
BCHE P06276 1/20 0.53

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
SCHEMBL7829431 0.83 FFAR4 (0.60) FFAR1ABCB1FFAR4
SCHEMBL2772855 0.82 FFAR1 (0.83) FFAR1FFAR4
SCHEMBL29085941 0.80 THRA (0.66) FFAR1FFAR4
SCHEMBL2769878 0.80 PPARA (0.63) ABCB1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL346302 0.79 FFAR1 (0.65) FFAR1
SCHEMBL429622 0.79 KMT2A (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2350246 0.79 FFAR1 (0.78) FFAR1ABCB1FFAR4
SCHEMBL4602414 0.79 ABCB1 (0.71) FFAR1ABCB1FFAR4
SCHEMBL10397464 0.77 LMNA (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1205963 0.77 FFAR1 (0.61) FFAR1FFAR4

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 FFAR1 196/4885ABCB1 3162/4885TUBB1 2292/4885

“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.