SCHEMBL19601102

SCHEMBL19601102

Cc1c[n+](Cc2ccc(C(=O)CO)cc2)ccc1-c1cc[n+](Cc2ccc(C(=O)CO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RARB P10826 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19607242 0.84 PKM (0.49) ALDH1A1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL19601129 0.83 ACHE (0.39) RAB9ALMNAHTTACHE
SCHEMBL19601103 0.79 KDM4A (0.43) CHKAALDH1A1KDM4ERAB9ABCHE
SCHEMBL19601104 0.78 ALDH1A1 (0.58) CHKAALDH1A1KDM4ERAB9ALMNA
SCHEMBL19601091 0.73 ALDH1A1 (0.55) CHKAALDH1A1KDM4ERAB9ALMNA
SCHEMBL19888149 0.70 PKM (0.48) ALDH1A1RAB9AMAPTSMN1; SMN2ACHE
SCHEMBL19607399 0.70 ACHE (0.48) ALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL8122311 0.70 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9ALMNAMAPT
SCHEMBL18775302 0.70 KMT2A (0.53) CHKAALDH1A1KDM4ERAB9ALMNA
SCHEMBL13675283 0.69 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ARARBLMNA

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-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME CANON KABUSHIKI KAISHA (JP) 2017-11-16 — — 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-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME KCNJ2, KCNH3, KCNN2 CHKA 1369/4885ALDH1A1 2072/4885KDM4E 2805/4885

“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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