SCHEMBL50026

SCHEMBL50026

CC(C)(C)O[N]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ KCNN4 O15554 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MIF P14174 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ MAPT P10636 3/20 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
SCHEMBL3932902 0.75 ALDH1A1 (0.39) ALDH1A1NOS3NOS1KCNN4TSHR
SCHEMBL49505 0.70 — —
SCHEMBL17217243 0.65 APP (0.35) ALDH1A1MAPK1ALOX15TSHRTDP1
SCHEMBL28735868 0.65 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRTDP1HSD17B10
SCHEMBL30473172 0.65 LMNA (0.46) ALDH1A1ALOX15TSHRMIFMAPT
SCHEMBL50033 0.65 ALDH1A1 (0.45) ALDH1A1MAPK1NOS3NOS1ALOX15
SCHEMBL49789 0.65 ALDH1A1 (0.39) ALDH1A1MAPK1NOS3NOS1TDP1
SCHEMBL10760927 0.65 ALDH1A1 (0.39) ALDH1A1MAPK1NOS3NOS1TSHR
SCHEMBL2638472 0.63 LTA4H (0.43) ALDH1A1NOS3NOS1TSHRTDP1
SCHEMBL24409482 0.63 GAA (0.43) ALDH1A1MAPK1ALOX15TSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129467-B2 Curing accelerating compound-silica composite material, method for producing curing accelerating compound-silica composite material, curing accelerator, curable resin composition, and electronic component device HITACHI CHEMICAL CO., LTD. (JP) 2012-03-06 — — US disclosed
US-8013052-B2 Curable resin, production method thereof, epoxy resin composition, and electronic device HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-09-06 — — US disclosed
US-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE HITACHI CHEMICAL CO., LTD. (JP) 2009-03-05 — — US disclosed
US-20090023855-A1 NOVEL CURABLE RESIN, PRODUCTION METHOD THEREOF, EPOXY RESIN COMPOSITION, AND ELECTRONIC DEVICE RESONAC CORPORATION (JP) 2009-01-22 — — 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-20090062460-A1 CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, METHOD FOR PRODUCING CURING ACCELERATING COMPOUND-SILICA COMPOSITE MATERIAL, CURING ACCELERATOR, CURABLE RESIN COMPOSITION, AND ELECTRONIC COMPONENT DEVICE NCAPH, RAD51, H1-2 ALDH1A1 2071/4885MAPK1 3546/4885NOS3 918/4885

“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.

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