SCHEMBL19085940

SCHEMBL19085940

Cc1cc(C)c(C)c(CCC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NUDT1 P36639 1/20 0.33
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DAO P14920 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL1610752 0.74 TAAR1 (0.33) L3MBTL1KDM4ETAAR1RAPGEF4
SCHEMBL18602124 0.72 HTT (0.41) SMN1; SMN2
SCHEMBL1610692 0.71 TAAR1 (0.31) TAAR1RAPGEF4
SCHEMBL598637 0.70 KMT2A (0.41) L3MBTL1KDM4ESMN1; SMN2RAPGEF4
SCHEMBL12802286 0.69 GAA (0.36) SMN1; SMN2TAAR1
SCHEMBL1611714 0.69 TAAR1 (0.31) TAAR1
SCHEMBL1610234 0.69 TAAR1 (0.31) TAAR1
SCHEMBL1610359 0.69 KMT2A (0.32) TAAR1
SCHEMBL395976 0.69 KDM4E (0.35) L3MBTL1KDM4EHSD17B10SMN1; SMN2TAAR1
SCHEMBL395487 0.69 TAAR1 (0.40) L3MBTL1KDM4EHIF1AHSD17B10TAAR1

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-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 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-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 L3MBTL1 3601/4885KDM4E 4235/4885NUDT1 443/4885

“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.