SCHEMBL17840319

SCHEMBL17840319

O=C(O)Nc1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
FABP4 P15090 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
TACR1 P25103 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 2/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 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
SCHEMBL16968517 0.84 L3MBTL1 (0.41) ALDH1A1TACR1PLK1KDM4E
SCHEMBL3911337 0.78 HTT (0.51) ALDH1A1LMNAMEN1KMT2A
SCHEMBL5964783 0.77 ALDH1A1 (0.51) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL17796920 0.76 ALDH1A1 (0.52) ALDH1A1HPGDHDAC8HDAC6MEN1
SCHEMBL3972345 0.75 LMNA (0.54) ALDH1A1HPGDLMNAPTGS2KDM4E
SCHEMBL344492 0.75 ALDH1A1 (0.49) ALDH1A1FABP4HPGDFFAR4TAS2R14
SCHEMBL4069463 0.74 MAOB (0.46) LMNATAS2R14PTGS2KCNK3KCNK9
Urea SCHEMBL27881390 0.74 FFAR4 (0.54) ALDH1A1HPGDFFAR4HSD11B1
SCHEMBL12615345 0.73 PDCD1 (0.51) ALDH1A1LMNAPOLBPTGS2KDM4E
SCHEMBL5103394 0.73 POLB (0.49) ALDH1A1HPGDLMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 ALDH1A1 1199/4885FABP4 2057/4885HPGD 2771/4885

“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.