SCHEMBL31744892

SCHEMBL31744892

Brn1cc(Oc2ccccc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CTNNB1 P35222 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
SCHEMBL25827703 0.73 IMPDH2 (0.36) TSHRPOLBMAPTKMT2ALMNA
SCHEMBL31744664 0.69 KMT2A (0.45) TSHRKDM4EMAPTKMT2AGSK3B
SCHEMBL536544 0.68 LTA4H (0.58) LTA4HTSHRCYP1A2CYP2C19KDM4E
SCHEMBL10323801 0.67 SCN9A (0.44) POLBSCN9AKDM4EALDH1A1ATM
SCHEMBL28858352 0.67 HTR6 (0.50) CYP1A2KDM4EGSK3BALDH1A1BRD4
SCHEMBL9393621 0.66 TSHR (0.55) LTA4HTSHRKDM4EMAPTKMT2A
SCHEMBL2790587 0.66 SLC6A2 (0.43) CYP1A2KDM4EMAPTKMT2ASLC6A2
SCHEMBL3135259 0.66 IDO1 (0.40) CYP1A2POLBCYP2C19KDM4EMAPT
SCHEMBL16890260 0.66 KDM4E (0.44) LTA4HTSHRCYP1A2POLBCYP2C19
SCHEMBL13335079 0.65 NR4A2 (0.50) POLBSCN9AKDM4EALDH1A1ATM

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-20250382269-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 (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-20250382269-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CD14, MIF, NOD2 LTA4H 683/4885TSHR 4597/4885CYP1A2 3820/4885

“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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