SCHEMBL512797

SCHEMBL512797

CCC(CC)(c1cc(-c2cccs2)on1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 3/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
LMNA P02545 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.43
ESR1 P03372 1/20 0.42
PLEC Q15149 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL515676 0.80 ALDH1A1 (0.45) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL514009 0.76 HDAC1 (0.48) KDM4EMAPTTP53THRBRAB9A
SCHEMBL514330 0.76 NPC1 (0.46) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL513443 0.76 NPC1 (0.44) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL513766 0.75 ALDH1A1 (0.40) KDM4ETHRBRAB9ANPC1SMN1; SMN2
SCHEMBL12689025 0.74 KDM4E (0.48) KDM4EMAPTTP53THRBRAB9A
SCHEMBL9863815 0.73 MAPT (0.37) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL512899 0.72 KDM4E (0.48) KDM4EMAPTTP53RAB9ANPC1
SCHEMBL15203949 0.70 TSHR (0.38) KDM4EMAPTRAB9ANPC1LMNA
SCHEMBL4287937 0.69 RAB9A (0.58) KDM4EMAPTTP53THRBRAB9A

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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 KDM4E 3490/4885MAPT 2573/4885TP53 4779/4885

“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.