SCHEMBL127928

SCHEMBL127928

COc1cc(CCNC(=O)Cc2ccc(C)c(C)c2)ccc1-c1ccoc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL170952 0.91 CA1 (0.59) CA1CA2ALDH1A1USP2CYP1A2
SCHEMBL128950 0.85 KMT2A (0.54) CA1CA2POLBLMNAALDH1A1
SCHEMBL129920 0.84 CA1 (0.50) CA1CA2POLBLMNAALDH1A1
SCHEMBL129942 0.83 CA1 (0.49) CA1CA2POLBLMNAALDH1A1
SCHEMBL17212230 0.83 CA1 (0.60) CA1CA2POLBLMNAALDH1A1
SCHEMBL6382633 0.81 CA1 (0.69) CA1CA2POLBBCHEACHE
SCHEMBL129917 0.81 POLB (0.50) CA1CA2POLBLMNABCHE
SCHEMBL127913 0.80 ALDH1A1 (0.55) CA1CA2LMNAALDH1A1CYP1A2
SCHEMBL129058 0.80 THRB (0.46) CA1CA2POLBALDH1A1HPGD
SCHEMBL127930 0.78 CA1 (0.53) CA1CA2POLBLMNAALDH1A1

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 3802/4885CA2 1379/4885POLB 2698/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 4003/4885CA2 1626/4885POLB 3196/4885

“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.