SCHEMBL18775293

SCHEMBL18775293

COc1cc(C[n+]2ccc(-c3cc[n+](Cc4cc(C)cc(F)c4)cc3)cc2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CHKA P35790 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL18775291 0.85 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ACHKA
SCHEMBL20143116 0.83 RXRA (0.41) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL18775290 0.77 KDM4E (0.56) KDM4EALDH1A1RAB9ACHKAACHE
SCHEMBL20143526 0.76 RXRA (0.44) KDM4EALDH1A1RAB9ACHKAACHE
SCHEMBL18775289 0.71 RAB9A (0.60) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL7837346 0.70 CHKA (0.49) KDM4EALDH1A1RAB9AMAOBCHKA
SCHEMBL367258 0.70 ACHE (0.44) ALDH1A1MEN1KMT2AMAOBTSHR
SCHEMBL18775301 0.69 KDM4E (0.45) KDM4EALDH1A1RAB9ACHKAACHE
SCHEMBL26463512 0.68 MAOB (0.51) MAOBACHE
SCHEMBL11885 0.67 ALDH1A1 (0.48) KDM4EALDH1A1NQO2TSHRMAPK1

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-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-04-27 — — 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-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT SCN11A, ECH1, H1-0 KDM4E 1299/4885ALDH1A1 656/4885RAB9A 2408/4885

“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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