SCHEMBL4601447

SCHEMBL4601447

COc1ccc(-c2cc(C(=O)O)ccc2C)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TPMT P51580 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HTT P42858 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 2/20 0.48
GAA P10253 3/20 0.46
TTR P02766 1/20 0.46
PKM P14618 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL4601701 0.90 TPMT (0.56) LMNATPMTCA12CA1CA2
SCHEMBL4640519 0.81 LMNA (0.52) LMNATPMTCA12CA1CA2
SCHEMBL22190047 0.79 TPMT (0.50) LMNATPMTCA12CA1CA2
SCHEMBL2044179 0.78 CA1 (0.51) LMNATPMTCA12CA1CA2
SCHEMBL29788180 0.78 CA1 (0.51) LMNATPMTCA12CA1CA2
SCHEMBL2745042 0.78 LMNA (0.56) LMNATPMTCA12CA1CA2
SCHEMBL1616095 0.77 STIM1 (0.54) LMNATPMTCA12CA1CA2
SCHEMBL23479774 0.76 LMNA (0.61) LMNATPMTCA12CA1CA2
SCHEMBL2743943 0.76 LMNA (0.61) LMNATPMTCA12CA1CA2
SCHEMBL503429 0.76 CA12 (0.71) LMNATPMTCA12CA1CA2

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 LMNA 3198/4885TPMT 3169/4885CA12 4549/4885

“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.