SCHEMBL13337494

SCHEMBL13337494

[2H]C([2H])([2H])C#CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
PLA2G4B P0C869 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RARB P10826 3/20 0.44

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
SCHEMBL1503527 0.88 PKM (0.53) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL13337491 0.84 MAPT (0.58) TSHRNPC1POLBRAB9ASMN1; SMN2
SCHEMBL31017671 0.78 PKM (0.53) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL13337424 0.77 RXRA (0.50) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL13337470 0.76 RXRA (0.49) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL23425517 0.76 ADAM17 (0.50) MMP1MMP9MMP13ADAM17
SCHEMBL8011558 0.75 PKM (0.58) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL13337501 0.75 PKM (0.50) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL17039268 0.75 L3MBTL1 (0.59) POLBRAB9AMMP1MMP9MMP13
SCHEMBL4398919 0.74 PKM (0.56) PKMPLA2G4BMAPK1TSHRTP53

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-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 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-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 PKM 987/4885PLA2G4B 4249/4885MAPK1 4830/4885

“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.