SCHEMBL21706357

SCHEMBL21706357

CCC(C)(CC)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.53
LOXL2 Q9Y4K0 1/20 0.46
FBP1 P09467 1/20 0.46
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL25831137 0.90 LOXL2 (0.49) CASRLOXL2FBP1TNFNOD1
SCHEMBL23452696 0.90 CASR (0.48) CASRLOXL2FBP1TNFNOD1
SCHEMBL20312885 0.86 CASR (0.50) CASRFBP1TNFNOD1UBE2T
SCHEMBL12545796 0.86 CASR (0.53) CASRFBP1TNFNOD1UBE2T
SCHEMBL30731332 0.83 CASR (0.57) CASRFBP1TNFNOD1CYP1A2
SCHEMBL23453157 0.81 CASR (0.46) CASRFBP1TNFNOD1CYP1A2
SCHEMBL227210 0.81 CASR (0.58) CASRFBP1TNFNOD1
SCHEMBL108180 0.81 CASR (0.58) CASRFBP1TNFNOD1
SCHEMBL30731281 0.81 CASR (0.55) CASRFBP1UBE2TASIC3
SCHEMBL23453144 0.80 CASR (0.45) CASRFBP1CYP1A2

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-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 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-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CASR 3034/4885LOXL2 3507/4885FBP1 1576/4885

“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.