SCHEMBL6773271

SCHEMBL6773271

CC(CCO)Nc1cccc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPA1 O75762 1/20 0.33
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7063243 0.73 LMNA (0.33) KMT2AL3MBTL1SLC2A1KDM4ETDP1
SCHEMBL6963178 0.71 KMT2A (0.34) KMT2AL3MBTL1SLC2A1KDM4ETDP1
SCHEMBL2388601 0.70 TDP1 (0.52) KMT2AL3MBTL1TRPM8TRPA1TDP1
SCHEMBL2386760 0.70 TDP1 (0.52) KMT2AL3MBTL1TRPM8TRPA1TDP1
SCHEMBL8180111 0.69 ALDH1A1 (0.42) KMT2ASLC2A1KDM4ETDP1LMNA
SCHEMBL852975 0.68 POLB (0.40) KMT2AKDM4ETDP1LMNAHTT
SCHEMBL3217738 0.67 MAPT (0.42) KMT2AKDM4ETDP1LMNAHTT
SCHEMBL5076504 0.67
SCHEMBL21116058 0.66 TRPA1 (0.41) KMT2AL3MBTL1TRPM8TRPA1KDM4E
SCHEMBL6177680 0.66 KCNH3 (0.42) KMT2AKDM4ETDP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2002-07-25 US disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO 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-20020099209-A1 Dihydrostilbene alkanoic acid derivatives ITGA5, ITGB5, ITGB1 KMT2A 3377/4885L3MBTL1 3238/4885TRPM8 248/4885

“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.