SCHEMBL10088752

SCHEMBL10088752

Cc1ccc(COc2cc(F)c3c(c2)OCC(CN2CCC(CC(=O)O)CC2)=C3)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
CHRM4 P08173 1/20 0.32
FAAH O00519 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ICAM1 P05362 1/20 0.32

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
SCHEMBL10088999 0.92 FFAR1 (0.39) FFAR4FFAR1
SCHEMBL10088719 0.88 S1PR1 (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10088708 0.86 S1PR1 (0.44)
SCHEMBL10088730 0.85 MAPK1 (0.40) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL10088676 0.84 EPHX2 (0.34) KDM4EALDH1A1MEN1KMT2AACHE
SCHEMBL10088880 0.84 MAPK1 (0.37) FFAR1
SCHEMBL10088751 0.83 KDM4E (0.30) KDM4EMEN1KMT2AATMNPSR1
SCHEMBL10088755 0.83 CD274 (0.37) KDM4EMEN1KMT2AATMNPSR1
SCHEMBL10088743 0.83 S1PR5 (0.34) KDM4EFFAR1MEN1KMT2AATM
SCHEMBL10088559 0.80 F2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 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 (2 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 FFAR4 238/4885KDM4E 3199/4885ALDH1A1 2201/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 FFAR4 107/4885KDM4E 2391/4885ALDH1A1 2294/4885

“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.