SCHEMBL24313337

SCHEMBL24313337

O=Cc1cc(F)c(Oc2ccc(C=O)c(F)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ERN1 O75460 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
CYP2A6 P11509 1/20 0.32
SOS1 Q07889 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL14656252 0.86 SOS1 (0.44) ALDH1A1L3MBTL1POLBCASP6CYP2A6
SCHEMBL24313344 0.86 PRKDC (0.37) CYP1A1CYP1A2CYP1B1ALDH1A1TRIM24
SCHEMBL21855911 0.86 TDP1 (0.43) CYP1A1CYP1A2CYP1B1ALDH1A1TRIM24
SCHEMBL30509805 0.85 ERN1 (0.42) CYP1A1CYP1A2CYP1B1ALDH1A1TRIM24
SCHEMBL24312922 0.83 ALDH1A1 (0.59) CYP1A1CYP1A2CYP1B1ALDH1A1TRIM24
SCHEMBL14656089 0.82 ALDH1A1 (0.39) CYP1A2ALDH1A1L3MBTL1POLBCASP6
SCHEMBL8544716 0.81 MAOA (0.41) ALDH1A1L3MBTL1POLBSMN1; SMN2DRD1
SCHEMBL14667726 0.81 ALDH1A1 (0.50) CYP1A2ALDH1A1L3MBTL1POLBCASP6
SCHEMBL14656299 0.80 KIF11 (0.53) ALDH1A1L3MBTL1POLB
SCHEMBL14667727 0.79 HTR2A (0.39) ALDH1A1L3MBTL1POLBCASP6CYP2A6

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 CYP1A1 4001/4885CYP1A2 3681/4885CYP1B1 2097/4885

“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.