SCHEMBL18775301

SCHEMBL18775301

Cc1cc(C[n+]2ccc(-c3cc[n+](Cc4cc(C)cc(C(F)(F)F)c4)cc3)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CHKA P35790 4/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ GRIN2B Q13224 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL20143116 0.89 RXRA (0.41) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL18775303 0.83 PKM (0.44) RAB9AACHERXRARXRBRXRG
SCHEMBL18775290 0.82 KDM4E (0.56) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL18775299 0.80 MRGPRX4 (0.46) KDM4ECYP1A2CYP2D6
SCHEMBL20143526 0.79 RXRA (0.44) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL18775292 0.79 KDM4E (0.58) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL19102940 0.77 ACHE (0.41) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL14570493 0.74 IDO1 (0.43) GRIN2BIDH1TACR1NOS3NOS1
SCHEMBL18775287 0.74 BCHE (0.58) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL16767879 0.73 GRIN2B (0.44) GRIN2BIDH1NOS3NOS1

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-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 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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