SCHEMBL23914441

SCHEMBL23914441

C=C1C(=O)O[C@H](c2cccc(OC)c2)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
KMT2A Q03164 3/20 0.44
HIF1A Q16665 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 0.87 CYP2C19 (0.41) CYP2C19LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL23914348 0.82 ALDH1A1 (0.43) CYP2C19LMNAALDH1A1KDM4E
SCHEMBL23914409 0.82 GRM5 (0.42) CYP2C19LMNASMN1; SMN2MEN1CYP3A4
SCHEMBL23914096 0.81 MEN1 (0.40) CYP2C19LMNASMN1; SMN2MEN1CYP3A4
SCHEMBL23914083 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL23914355 0.77 P2RX3 (0.42) LMNAMEN1KMT2ANPSR1L3MBTL1
SCHEMBL23914088 0.76 ALDH1A1 (0.52) LMNASMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL23913947 0.76 ALDH1A1 (0.52) LMNASMN1; SMN2CYP3A4ALDH1A1KDM4E
SCHEMBL23913964 0.76 CYP2C19 (0.36) CYP2C19LMNAMEN1CYP3A4CYP2D6
SCHEMBL23914438 0.76 MEN1 (0.43) CYP2C19LMNASMN1; SMN2MEN1CYP3A4

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 1955/4885SMN1; SMN2 2299/4885

“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.