SCHEMBL18775299

SCHEMBL18775299

COC(=O)c1cccc(C[n+]2ccc(-c3cc[n+](Cc4cc(C)cc(C(F)(F)F)c4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ PKM P14618 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 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
SCHEMBL18783480 0.94 MRGPRX4 (0.49) MRGPRX4LOXL2CYP4F2CYP4A11PKM
SCHEMBL18775303 0.88 PKM (0.44) LOXL2PKMNPC1LMNA
SCHEMBL18775298 0.84 LOXL2 (0.59) MRGPRX4LOXL2CYP4F2CYP4A11PKM
SCHEMBL18775301 0.80 KDM4E (0.45) CYP1A2CYP2D6KDM4E
SCHEMBL20143116 0.76 RXRA (0.41) MEN1KMT2AKDM4E
SCHEMBL18775295 0.71 PKM (0.48) LOXL2CYP4F2CYP4A11PKMNPC1
SCHEMBL12797648 0.70 LOXL2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11NPC1
SCHEMBL18775300 0.69 PKM (0.68) LOXL2PKMNPC1KDM4E
SCHEMBL12255430 0.69 RXRA (0.54) LMNA
SCHEMBL16996823 0.69 PKM (0.59) LOXL2CYP4F2CYP4A11PKMNPC1

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 MRGPRX4 2203/4885LOXL2 4194/4885CYP4F2 255/4885

“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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