SCHEMBL23914366

SCHEMBL23914366

C=C1C(=O)O[C@H](c2ccc(OC)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPBWR1 P48145 1/20 0.39
MAOB P27338 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
P2RX3 P56373 1/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL23914083 0.90 ALDH1A1 (0.45) LMNATP53ALDH1A1MAOBNPC1
SCHEMBL23914441 0.87 CYP2C19 (0.48) CYP2C19LMNATP53ALDH1A1MAOB
SCHEMBL23913947 0.86 ALDH1A1 (0.52) LMNATP53ALDH1A1MAOBNPC1
SCHEMBL23914088 0.86 ALDH1A1 (0.52) LMNATP53ALDH1A1MAOBNPC1
SCHEMBL23913793 0.85 ACHE (0.44) LMNATP53ALDH1A1MAOBNPC1
SCHEMBL23914348 0.84 ALDH1A1 (0.43) CYP2C19LMNAALDH1A1CYP1A1CYP1B1
SCHEMBL23914267 0.83 KMT2A (0.44) CYP2C19LMNATP53ALDH1A1MAOB
SCHEMBL23914096 0.82 MEN1 (0.40) CYP2C19LMNAALDH1A1MAPTHPGD
SCHEMBL23914355 0.81 P2RX3 (0.42) LMNAP2RX3
SCHEMBL23913787 0.80 KDM1A (0.46) LMNATP53ALDH1A1MAOBNPC1

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 CYP2C19 355/4885LMNA 1955/4885TP53 3521/4885

“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.