SCHEMBL31744652

SCHEMBL31744652

CCCCOc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KCNA5 P22460 2/20 0.47
KCNH2 Q12809 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
FFAR1 O14842 1/20 0.46
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL31744918 0.93 SSTR2 (0.51) SLC22A6CYP1A2CYP2C9CYP2C19SSTR2
SCHEMBL5229462 0.84 SLC22A6 (0.54) SLC22A6MAPTMEN1KMT2AGPR84
SCHEMBL6990155 0.83 SLC22A6 (0.50) SLC22A6SSTR2SSTR4MAPTMEN1
SCHEMBL6989106 0.81 SLC22A6 (0.47) SLC22A6CYP1A2SSTR2SSTR4MAPT
SCHEMBL11219841 0.81 SLC22A6 (0.51) SLC22A6SSTR2SSTR4MAPTMEN1
SCHEMBL4979438 0.80 HTR1A (0.55) SLC22A6KCNH2MAPTMEN1KMT2A
SCHEMBL3555909 0.80 HTR1B (0.55) SLC22A6CYP2C19MEN1KMT2ACYP2D6
SCHEMBL3798923 0.78 HTR1B (0.62) CYP1A2CYP2C9MAPTMEN1KMT2A
SCHEMBL1198964 0.77 SLC22A6 (0.50) SLC22A6CYP1A2CYP2C19MAPTMEN1
SCHEMBL28094105 0.77 SLC22A6 (0.54) SLC22A6CYP1A2MAPTMEN1KMT2A

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-20250382268-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RES CORPORATION (US) 2025-12-18 US claimed
US-20250382269-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RES CORPORATION (US) 2025-12-18 US disclosed
US-20250382268-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RES CORPORATION (US) 2025-12-18 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 (2 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-20250382269-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CD14, MIF, NOD2 SLC22A6 2577/4885CYP1A2 3820/4885CYP2C9 3529/4885
US-20250382268-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CD14, MIF, NOD2 SLC22A6 2577/4885CYP1A2 3820/4885CYP2C9 3529/4885

“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.