SCHEMBL4640372

SCHEMBL4640372

COc1ccc(-c2cc3c(c(C(=O)O)c2)OCC3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP2 O95551 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
ERN1 O75460 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
NAAA Q02083 2/20 0.41
GSK3B P49841 1/20 0.41
PARP1 P09874 1/20 0.41
MGLL Q99685 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4640351 0.90 ALDH1A1 (0.49) MAPK1RAB9ALMNAERN1KDM4E
SCHEMBL4640425 0.87 PARP1 (0.42) JAK2MAPK1RAB9ALMNAHTT
SCHEMBL4737365 0.85 LMNA (0.45) JAK2MAPK1RAB9ALMNAHTT
SCHEMBL3945829 0.84 KDM4E (0.45) MAPK1RAB9ALMNAERN1KDM4E
SCHEMBL4739429 0.82 SMN1; SMN2 (0.50) MAPK1RAB9APARP1KDM4ENPC1
SCHEMBL4642112 0.82 KDM4E (0.46) MAPK1RAB9ALMNAERN1PARP1
SCHEMBL4733776 0.80 PARP1 (0.52) RAB9ALMNAERN1PARP1KDM4E
SCHEMBL4740085 0.80 PARP1 (0.50) ERN1PARP1SMN1; SMN2
SCHEMBL4641393 0.80 DHODH (0.47) LMNAPARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4782247 0.79 ERN1 (0.42) MAPK1RAB9ALMNAHTTERN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 JAK2 2355/4885MAPK1 4062/4885RAB9A 2622/4885

“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.