SCHEMBL18328447

SCHEMBL18328447

CCCCCCCCCCCC(=O)Nc1ccc2oc3c(c2c1)CCCC3

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NFKB1 P19838 3/20 0.50
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ENPP2 Q13822 1/20 0.46
DGAT2 Q96PD7 1/20 0.46

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
SCHEMBL3867110 0.99 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3865043 0.99 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3863034 0.98 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3864736 0.98 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3867012 0.94 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3864728 0.94 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL3863940 0.92 MAPT (0.61) MAPTNPC1SMN1; SMN2RXFP1NFKB1
SCHEMBL3862354 0.86 MAPT (0.62) MAPTNPC1SMN1; SMN2RXFP1NFKB1
SCHEMBL3863835 0.84 MAPT (0.61) MAPTNPC1SMN1; SMN2RXFP1NFKB1
SCHEMBL3863032 0.83 MAPT (0.57) MAPTNPC1SMN1; SMN2RXFP1NFKB1

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 4 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

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 MAPT 4618/4885NPC1 4883/4885RAB9A 751/4885

“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.