SCHEMBL3448582

SCHEMBL3448582

C(#Cc1ccc2cc3ccccc3cc2c1)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.44
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HIF1A Q16665 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL3447266 0.95 ALDH1A1 (0.46) ASIC3ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL31026479 0.95 ALDH1A1 (0.46) ASIC3ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL5572006 0.78 ASIC3 (0.52) ASIC3ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL5573818 0.78 ASIC3 (0.52) ASIC3ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL8628482 0.77 ASIC3 (0.61) ASIC3ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL29429053 0.77 APP (0.55) ASIC3ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL430978 0.77 ASIC3 (0.61) ASIC3ALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL28797622 0.76 ALDH1A1 (0.50) ASIC3ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL929237 0.76 APP (0.52) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL3446999 0.72 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2

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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 ASIC3 3576/4885ALDH1A1 2453/4885CYP3A4 3691/4885

“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.