SCHEMBL10088751

SCHEMBL10088751

Cc1ccc(COc2cc(F)c3c(c2)OCC(CN2CC=C(C(=O)O)CC2)=C3)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SRD5A1 P18405 1/20 0.30

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
SCHEMBL10089015 0.92 SRD5A1 (0.35) SRD5A1
SCHEMBL10088755 0.88 CD274 (0.37) KDM4EMEN1KMT2AATMNPSR1
SCHEMBL10088708 0.84 S1PR1 (0.44)
SCHEMBL10088719 0.83 S1PR1 (0.43) KDM4EMEN1KMT2A
SCHEMBL10088752 0.83 FFAR4 (0.34) KDM4EMEN1KMT2AATMNPSR1
SCHEMBL10088743 0.82 S1PR5 (0.34) KDM4EMEN1KMT2AATMNPSR1
SCHEMBL10088730 0.82 MAPK1 (0.40) KDM4EMEN1KMT2ANPSR1
SCHEMBL10088824 0.81 KDM5A (0.33)
SCHEMBL10088882 0.80 S1PR1 (0.33)
SCHEMBL10089026 0.80 MEN1 (0.38) MEN1KMT2ASRD5A1

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 KDM4E 3199/4885MEN1 1528/4885KMT2A 2928/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 KDM4E 2391/4885MEN1 2001/4885KMT2A 2597/4885

“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.