SCHEMBL21922352

SCHEMBL21922352

CC(C)c1ccc(OCc2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GCK P35557 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
FFAR1 O14842 1/20 0.39
NUDT1 P36639 1/20 0.39
ALOX5 P09917 1/20 0.39
GLRA1 P23415 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4274920 0.84 LMNA (0.55) GAALMNAHTTALDH1A1PKM
SCHEMBL21923110 0.79 GABRG2 (0.46) FFAR1
SCHEMBL21922388 0.78 ENPP2 (0.42) GAAALDH1A1SMN1; SMN2
SCHEMBL3000996 0.77 GAA (0.43) GAALMNAHTTALDH1A1PKM
SCHEMBL13548218 0.77 HTT (0.42) HTTALDH1A1MAPTSMN1; SMN2
SCHEMBL20085570 0.77 TRPV3 (0.51) GAALMNAHTTALDH1A1PKM
SCHEMBL21923115 0.76 LOX (0.49) GAAALDH1A1FFAR1
SCHEMBL3002786 0.75 LMNA (0.49) GAALMNAHTTALDH1A1PKM
SCHEMBL3007783 0.75 CYP4F2 (0.48) GAALMNAHTTALDH1A1PKM
SCHEMBL3011586 0.74 MAOA (0.49) GAALMNAHTTALDH1A1PKM

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-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 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-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 GAA 1248/4885LMNA 1587/4885HTT 289/4885

“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.