SCHEMBL23914348

SCHEMBL23914348

C=C1C(=O)O[C@H](c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 2/20 0.39
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
MAP2K3 P46734 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL23914366 0.84 CYP2C19 (0.41) ALDH1A1CYP2C19LMNACYP1A1CYP1B1
SCHEMBL23913799 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESLC2A1ABCC1MAP2K3
SCHEMBL23914096 0.82 MEN1 (0.40) ALDH1A1KDM4ECYP2C19LMNA
SCHEMBL23914441 0.82 CYP2C19 (0.48) ALDH1A1KDM4ECYP2C19LMNA
SCHEMBL23914355 0.81 P2RX3 (0.42) LMNA
SCHEMBL23914083 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ELMNA
SCHEMBL23913947 0.70 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAABCB1
SCHEMBL23914088 0.70 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAABCB1
SCHEMBL23913793 0.69 ACHE (0.44) ALDH1A1LMNA
SCHEMBL23914267 0.68 KMT2A (0.44) ALDH1A1CYP2C19LMNA

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM ALDH1A1 2164/4885KDM4E 2541/4885SLC2A1 4130/4885

“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.