SCHEMBL19601114

SCHEMBL19601114

COc1c[n+](-c2ccc(C(C)(C)C)cc2)ccc1-c1cc[n+](-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.41
▸ BCHE P06276 6/20 0.41
▸ MAPT P10636 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TDO2 P48775 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ NR1I2 O75469 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
SCHEMBL19601115 0.83 ACHE (0.51) ACHEBCHEALDH1A1HPGD
SCHEMBL19607291 0.83 ACHE (0.51) ACHEBCHE
SCHEMBL19601106 0.81 ACHE (0.51) ACHEBCHE
SCHEMBL19601089 0.80 TSHR (0.35) ACHEBCHESMN1; SMN2ALDH1A1LMNA
SCHEMBL19601118 0.78 ACHE (0.47) ACHEBCHESMN1; SMN2MEN1KMT2A
SCHEMBL16563233 0.77 KIF11 (0.45) ACHEBCHELMNA
SCHEMBL19607343 0.77 ACHE (0.48) ACHEBCHEALDH1A1HPGD
Hydrochloric Acid SCHEMBL3136051 0.75 KIF11 (0.48) ACHEBCHELMNA
SCHEMBL19601116 0.72 ACHE (0.58) ACHEBCHESMN1; SMN2ALDH1A1MEN1
SCHEMBL19607290 0.71 CCNT1 (0.39) ACHEBCHEMEN1KMT2A

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 ACHE 416/4885BCHE 2668/4885MAPT 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.

Send feedback