SCHEMBL22075510

SCHEMBL22075510

OCCC#Cc1cc(Cl)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL22075488 0.86 PGK1 (0.38) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9083244 0.79 PGK1 (0.46) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18587109 0.76 PTPN1 (0.35) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL16791726 0.76 PTGDR2 (0.50) PGK1ALDH1A1CYP2C9PTGDR2
SCHEMBL19302890 0.74 ALDH1A1 (0.47) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6297687 0.72 PGK1 (0.48) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1838731 0.72 PTGDR2 (0.41) PGK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20360102 0.71 PYCR1 (0.37) PGK1ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL29560750 0.71 PYCR1 (0.37) PGK1ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL29202467 0.71 KDM4E (0.41) PGK1KDM4EALDH1A1CYP1A2CYP3A4

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-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS PROMEGA CORPORATION 2020-06-25 — — US disclosed
WO-2020117954-A2 BROAD SPECTRUM GPCR BINDING AGENTS PROMEGA CORPORATION (US) 2020-06-11 — — WO 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-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS GPR139, GPR4, GPR3 PGK1 3294/4885KDM4E 4254/4885ALDH1A1 3372/4885

“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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