SCHEMBL16080798

SCHEMBL16080798

CC(C)c1ccc(/C=C/c2cccc(CO)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
NFE2L2 Q16236 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
CYP19A1 P11511 1/20 0.40
EGFR P00533 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AHR P35869 1/20 0.39
TYR P14679 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL11358871 0.81 HDAC4 (0.48) PTGS1PTGS2NFE2L2AHRKDM1A
SCHEMBL11220909 0.81 HDAC4 (0.48) PTGS1PTGS2NFE2L2AHRKDM1A
SCHEMBL9605426 0.81 NFE2L2 (0.56) PTGS1PTGS2NFE2L2KDM1AHDAC1
SCHEMBL9454625 0.81 TSHR (0.52) PTGS1PTGS2KDM4ENFE2L2PKM
SCHEMBL9335412 0.81 TSHR (0.52) PTGS1PTGS2KDM4ENFE2L2PKM
SCHEMBL9335390 0.81 TSHR (0.52) PTGS1PTGS2KDM4ENFE2L2PKM
SCHEMBL25911524 0.76 RELA (0.59) PTGS1PTGS2KDM4EMAPK1NFE2L2
SCHEMBL18589848 0.76 RELA (0.62) PTGS1PTGS2KDM4EMAPK1NFE2L2
SCHEMBL12228188 0.75 ENPP2 (0.42) KDM4EPKMSMN1; SMN2ALDH1A1TYR
SCHEMBL3279344 0.75 HDAC4 (0.47) KDM4EHTTSMN1; SMN2ALDH1A1TYR

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-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 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-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER KLK3, ACP3, FOLH1 PTGS1 683/4885PTGS2 606/4885KDM4E 4234/4885

“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.