SCHEMBL18783480

SCHEMBL18783480

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ PKM P14618 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL18775299 0.94 MRGPRX4 (0.46) MRGPRX4LOXL2CYP4F2CYP4A11PKM
SCHEMBL18775298 0.88 LOXL2 (0.59) MRGPRX4LOXL2CYP4F2CYP4A11PKM
SCHEMBL18775303 0.81 PKM (0.44) LOXL2PKMNOTUMLMNA
SCHEMBL18775295 0.76 PKM (0.48) LOXL2CYP4F2CYP4A11PKM
SCHEMBL20143526 0.74 RXRA (0.44) —
SCHEMBL8442634 0.73 ERN1 (0.53) MRGPRX4NOTUM
SCHEMBL18775300 0.72 PKM (0.68) LOXL2PKM
SCHEMBL16996823 0.72 PKM (0.59) LOXL2CYP4F2CYP4A11PKM
SCHEMBL15847083 0.71 MLYCD (0.62) MRGPRX4CYP3A4CHRM3CYP1A2CYP2D6
SCHEMBL31355711 0.71 CES2 (0.65) MRGPRX4NOTUMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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