SCHEMBL18775291

SCHEMBL18775291

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CHKA P35790 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ CALM1 P0DP23 1/20 0.40
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP4B1 P13584 2/20 0.39
▸ CYP2B6 P20813 2/20 0.39

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
SCHEMBL20143526 0.86 RXRA (0.44) ALDH1A1CHKAKDM4ERAB9A
SCHEMBL18775293 0.85 KDM4E (0.40) ALDH1A1CHKAKDM4ERAB9A
SCHEMBL7837346 0.82 CHKA (0.49) ALDH1A1CHKAKDM4ERAB9A
SCHEMBL367258 0.82 ACHE (0.44) ALDH1A1CYP19A1ABCB1AKR1B1CALM1
SCHEMBL20143116 0.82 RXRA (0.41) ALDH1A1CHKAKDM4ERAB9A
Bromide SCHEMBL31220206 0.79 PDE4A (0.39) KDM4ECYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18775288 0.77 ALDH1A1 (0.60) ALDH1A1CHKAKDM4ERAB9A
SCHEMBL18775289 0.77 RAB9A (0.60) ALDH1A1CHKAKDM4ERAB9A
SCHEMBL18775296 0.74 F2 (0.57) ALDH1A1CHKAKDM4ERAB9ACYP1A2
SCHEMBL19661292 0.74 CHKA (0.47) ALDH1A1CHKAKDM4ERAB9ACYP1A2

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-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
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 ALDH1A1 656/4885CHKA 3473/4885KDM4E 1299/4885

“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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