SCHEMBL16596180

SCHEMBL16596180

CCCCCCCCCCCC(=O)Nc1ccncc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.48
CETP P11597 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
SOAT1 P35610 2/20 0.46
DEGS1 O15121 1/20 0.46
EP300 Q09472 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19308412 0.89 ALDH1A1 (0.50) LMNAPOLBALDH1A1GAA
SCHEMBL6361945 0.84 MAPK1 (0.45) LMNAPOLBHPGDMAPTALDH1A1
SCHEMBL18328489 0.81 LMNA (0.60) LMNAPOLBHPGDCETPHDAC3
SCHEMBL4145745 0.81 GAA (0.62) POLBCETPHDAC3HDAC1SOAT1
SCHEMBL6017228 0.80 POLB (0.63) POLBCETPHDAC3HDAC1SOAT1
SCHEMBL7932228 0.78 LMNA (0.47) LMNAPOLBRAB9AALDH1A1GAA
SCHEMBL13772459 0.78 EP300 (0.49) HPGDCETPHDAC3HDAC1SOAT1
SCHEMBL18328519 0.76 CYP1A2 (0.53) LMNAHPGDRAB9AGAAL3MBTL1
SCHEMBL10713482 0.75 CETP (0.54) POLBCETPHDAC3HDAC1SOAT1
SCHEMBL11616583 0.75 ALDH1A1 (0.67) POLBHPGDCETPALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR LMNA 4678/4885POLB 1770/4885HPGD 481/4885

“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.