SCHEMBL30288264

SCHEMBL30288264

Cc1cc(C)cc(NCC(C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAPT P10636 5/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL12285488 0.82 THRB (0.45) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL30288271 0.77 ALDH1A1 (0.37) MAPTRAPGEF4CYP1A2CYP2C9CYP2C19
SCHEMBL30288278 0.71 ALDH1A1 (0.44) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL29612835 0.71 THRB (0.52) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL4740356 0.71 THRB (0.64) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL6575628 0.69 RAPGEF4 (0.42) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL5280349 0.69 THRB (0.50) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL29030467 0.67 RAPGEF4 (0.41) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL27652941 0.67 THRB (0.48) THRBMAPTPOLBSMN1; SMN2RAPGEF4
SCHEMBL16487279 0.66 AR (0.38) MEN1KMT2A

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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT THRB 3953/4885MAPT 4532/4885POLB 3596/4885

“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.