SCHEMBL12708296

SCHEMBL12708296

OCc1ccc2c(O)cc(-c3cccc(F)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.43
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
WNT3A P56704 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPN P05981 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL12708292 0.85 GRM2 (0.41) FYN
SCHEMBL12708293 0.85 KDM4E (0.42) ESR2ESR1SMN1; SMN2LMNATP53
SCHEMBL12711133 0.80 FYN (0.38) FYNWNT3AMAPTSMN1; SMN2LMNA
SCHEMBL12732311 0.78 KDM4E (0.53) MAPTNFKB1NFKB2RELASMN1; SMN2
SCHEMBL6667030 0.76 DHODH (0.54) ESR2ESR1SMN1; SMN2LMNATP53
SCHEMBL12708290 0.74 ACACA (0.49) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL18294634 0.74 ALDH1A1 (0.42) ESR2ESR1MAPTSMN1; SMN2LMNA
SCHEMBL4023007 0.73 RXFP1 (0.48) ESR2ESR1MAPTLMNAKMT2A
SCHEMBL18296605 0.73 PDGFRB (0.49) FYNMAPTRELASMN1; SMN2LMNA
SCHEMBL15275250 0.72 HPN (0.42) FYNMAPTSMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-04-07 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-20110082112-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS HAVCR2, PHOSPHO1, EIF2AK2 FYN 3366/4885ESR2 2215/4885ESR1 3722/4885

“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.