SCHEMBL12464338

SCHEMBL12464338

CC(C)CCCc1ccc(N)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.45
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX5 P09917 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKCI P41743 1/20 0.39
ACHE P22303 1/20 0.38
PDE10A Q9Y233 1/20 0.37
ESR1 P03372 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESR2 Q92731 1/20 0.36
AKT1 P31749 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL70013 0.82 TYR (0.66) TYRTSHRTDP1ALOX5MEN1
SCHEMBL14434819 0.81 PRKCI (0.49) TSHRCASP1TDP1ALOX5MEN1
SCHEMBL15934245 0.80 TYR (0.67) TYRTSHRCASP1TDP1ALOX5
SCHEMBL18954345 0.80 PRKCI (0.47) TYRTSHRCASP1TDP1ALOX5
SCHEMBL1176667 0.79 TYR (0.66) TYRTSHRCASP1TDP1ALOX5
SCHEMBL5028841 0.79 AKT1 (0.40) TSHRCASP1TDP1MAPTHTT
SCHEMBL23413569 0.78 TDP1 (0.47) TYRTSHRCASP1TDP1ALOX5
SCHEMBL29780623 0.78 TDP1 (0.47) TYRTSHRCASP1TDP1ALOX5
SCHEMBL12464064 0.77 TYR (0.69) TYRTSHRCASP1TDP1ALOX5
SCHEMBL5654220 0.76 TYR (0.67) TYRTSHRCASP1TDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182973-A1 POLYMERASE INHIBITORS AND THE USE THEREOF FOR THE TREATMENT OF TUMORS FREIE UNIVERSITAET BERLIN (DE) 2011-07-28 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-20110182973-A1 POLYMERASE INHIBITORS AND THE USE THEREOF FOR THE TREATMENT OF TUMORS POLH, POLI, POLK TYR 2013/4885TSHR 3867/4885CASP1 4300/4885

“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.