SCHEMBL24313432

SCHEMBL24313432

O=Cc1ccc(Oc2ccc(C=O)c(Br)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SOS1 Q07889 2/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
AMY1A P0DUB6 1/20 0.37
ERN1 O75460 2/20 0.37
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK2 O96017 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL29558007 0.89 PRKDC (0.48) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL24313342 0.89 PRKDC (0.48) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL24313440 0.89 PRKDC (0.41) PRKDCALDH1A1SOS1TRIM24TYR
SCHEMBL756641 0.83 ALDH1A1 (0.51) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL6142714 0.82 ALDH1A1 (0.42) ALDH1A1SOS1TRIM24TYRTRIM33
SCHEMBL26980167 0.81 SOS1 (0.38) ALDH1A1SOS1TRIM24TYRTRIM33
SCHEMBL24313344 0.81 PRKDC (0.37) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL14117427 0.81 LMNA (0.44) ALDH1A1CYP1A2ERN1LMNACYP2C9
SCHEMBL1134249 0.81 LMNA (0.50) PRKDCALDH1A1SOS1CYP1A2ERN1
SCHEMBL23709919 0.81 LMNA (0.50) ALDH1A1SOS1CYP1A2ERN1LMNA

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 PRKDC 77/4885ALDH1A1 3071/4885SOS1 1371/4885

“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.