SCHEMBL20128504

SCHEMBL20128504

CC(C)C(C)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.66
ALOX15 P16050 4/20 0.48
ALOX12 P18054 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 3/20 0.48
KMT2A Q03164 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ESR1 P03372 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NR3C1 P04150 2/20 0.48
FOS P01100 2/20 0.48
TTR P02766 2/20 0.48

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
SCHEMBL5018935 0.83 PNMT (0.70) PNMTMEN1ALDH1A1TP53KMT2A
SCHEMBL20061665 0.82 PNMT (0.46) PNMTALOX15ALOX12MEN1ALDH1A1
SCHEMBL10599873 0.81 PNMT (0.68) PNMTALOX15ALOX12MEN1ALDH1A1
SCHEMBL17407613 0.80 PNMT (0.72) PNMTSLC6A2SLC6A3POLBIDO1
SCHEMBL15384319 0.80 PNMT (0.61) PNMTMEN1ALDH1A1TP53KMT2A
SCHEMBL3058411 0.79 PNMT (1.00) PNMTSLC6A2SLC6A3HTR2AHTR2B
SCHEMBL20353176 0.79 PNMT (0.66) PNMTALOX15MEN1ALDH1A1TP53
SCHEMBL2424621 0.79 PNMT (0.66) PNMTALOX15SLC6A2SLC6A3POLB
SCHEMBL3058413 0.79 PNMT (1.00) PNMTSLC6A2SLC6A3HTR2AHTR2B
SCHEMBL17413477 0.79 PNMT (1.00) PNMTSLC6A2SLC6A3HTR2AHTR2B

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PNMT 3789/4885ALOX15 4701/4885ALOX12 4667/4885

“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.