SCHEMBL4784049

SCHEMBL4784049

O=C(O)c1cc(-c2cccc(OC(F)(F)F)c2)cc2c1OCCO2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.48
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
IGF2BP2 Q9Y6M1 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
SCHEMBL4734837 0.87 AKR1C2 (0.55) DHODHFFAR1AKR1C2AKR1C1IGF2BP2
SCHEMBL4735473 0.84 DHODH (0.47) DHODHAKR1C2
SCHEMBL4735875 0.81 ACMSD (0.50) DHODHAKR1C2AKR1C1
SCHEMBL4737775 0.80 CTNNB1 (0.49) DHODHAKR1C2AKR1C1
SCHEMBL4736975 0.79 DHODH (0.43) DHODHAKR1C2AKR1C1
SCHEMBL4737367 0.78 ACMSD (0.47) AKR1C2AKR1C1
SCHEMBL4735827 0.78 MCL1 (0.54)
SCHEMBL4735844 0.78 AKR1C2 (0.52) DHODHAKR1C2AKR1C1
SCHEMBL4736941 0.78 DCLRE1B (0.46) AKR1C2AKR1C1
SCHEMBL4737354 0.76 KDM4E (0.43) AKR1C2

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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US 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
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 DHODH 3192/4885FFAR1 180/4885FFAR4 309/4885

“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.