SCHEMBL19601085

SCHEMBL19601085

Cc1c[n+](-c2ccc(C)c(-c3ccccc3)c2)ccc1-c1cc[n+](-c2ccc(C)c(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.37
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL19601083 0.84 ACHE (0.39) ESR2KMT2AALDH1A1KDM4ELMNA
SCHEMBL14255576 0.81 BACE1 (0.43) ESR2ALDH1A1NR2F2SLC22A2SLC22A1
SCHEMBL21202122 0.79 ACHE (0.40) ESR2KMT2AALDH1A1KDM4ELMNA
SCHEMBL19601081 0.78 ACHE (0.46) ALDH1A1MAPTBCHEACHE
SCHEMBL19601098 0.77 ACHE (0.41) KMT2ACYP1A2ALDH1A1KDM4ELMNA
SCHEMBL19601090 0.76 — —
SCHEMBL19601135 0.73 ESR2 (0.36) ESR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL19607240 0.72 ACHE (0.44) KMT2AALDH1A1MAPTBCHEACHE
SCHEMBL19601089 0.72 TSHR (0.35) ALDH1A1LMNASMN1; SMN2BCHEACHE
SCHEMBL19601095 0.71 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10310350-B2 Organic compound, electrochromic compound, and electrochromic element, optical filter, lens unit, imaging device, and window component having same CANON KABUSHIKI KAISHA (JP) 2019-06-04 — — 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
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 (2 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-10310350-B2 Organic compound, electrochromic compound, and electrochromic element, optical filter, lens unit, imaging device, and window component having same KCNJ2, KCNH3, KCNN2 ESR2 377/4885KMT2A 2473/4885CYP1A2 1546/4885
US-20170329195-A1 ORGANIC COMPOUND, ELECTROCHROMIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW COMPONENT HAVING SAME KCNJ2, KCNH3, KCNN2 ESR2 377/4885KMT2A 2473/4885CYP1A2 1546/4885

“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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