SCHEMBL24312427

SCHEMBL24312427

CSc1ccc2c(c1)OC(CC(C)c1ccc3c(c1)CCC3)C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MMP3 P08254 1/20 0.32
FFAR1 O14842 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
SCHEMBL22016545 0.86 MMP3 (0.35) MEN1KMT2AMMP3
SCHEMBL24402987 0.69 CYP1A2 (0.38) MEN1KMT2AMMP3
SCHEMBL23772573 0.68 NPC1 (0.48) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL19977257 0.67 HTR2A (0.35) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL25894256 0.67 MMP3 (0.34) MMP3
SCHEMBL21284498 0.66 MMP3 (0.35) MMP3
SCHEMBL22007144 0.65 HTR1A (0.39) HTR2AHTR2CHTR2B
SCHEMBL8483178 0.64 NPC1 (0.44) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL24023602 0.62 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL23034515 0.62 CHRM5 (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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B MEN1 3326/4885NPC1 1714/4885RAB9A 247/4885

“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.