SCHEMBL19121993

SCHEMBL19121993

CSn1ccc(-c2ccc(C)cc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALPL P05186 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33

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
SCHEMBL3448871 0.80 KMT2A (0.42) MAPTNPSR1ALPLCA9TLR8
SCHEMBL24732287 0.68 CCR1 (0.64) MAPTNPSR1ALPLCA9TLR8
SCHEMBL31547677 0.67 TDP1 (0.52) MAPTALPLCA9LMNAGAA
SCHEMBL3043421 0.67 TDP1 (0.52) MAPTALPLCA9LMNAGAA
SCHEMBL21734468 0.67 MAPT (0.43) MAPTNPSR1ALPLCA9TLR8
SCHEMBL22253435 0.66 — —
SCHEMBL15025995 0.66 MAPT (0.45) MAPTNPSR1ALPLCA9TLR8
SCHEMBL7039117 0.66 HSD17B10 (0.46) MAPTNPSR1ALPLCA9TLR8
SCHEMBL25562475 0.66 CCR1 (0.56) MAPTNPSR1ALPLCA9TLR8
SCHEMBL2751322 0.66 TLR8 (0.39) MAPTNPSR1ALPLCA9TLR8

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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 — — 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 MAPT 4883/4885NPSR1 796/4885ALPL 3934/4885

“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.

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