SCHEMBL19601096

SCHEMBL19601096

CCCCCCC[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CHRM2 P08172 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41

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
SCHEMBL19601092 0.94 MEN1 (0.50) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19601119 0.83 MEN1 (0.44) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19601082 0.83 ACHE (0.43) NPC1RAB9AACHETSHR
SCHEMBL19601094 0.82 KMT2A (0.51) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19601074 0.81 MEN1 (0.67) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19601093 0.80 HTT (0.55) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19607342 0.79 SLC22A2 (0.41) KDM4ENPC1RAB9AACHESLC6A4
SCHEMBL19601076 0.77 KMT2A (0.61) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL18373573 0.76 KMT2A (0.74) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL19601097 0.76 MEN1 (0.48) KMT2AMEN1MAPTTP53CYP1A2

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 2 patents. 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
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 KMT2A 2473/4885MEN1 1152/4885MAPT 3555/4885

“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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