SCHEMBL24312922

SCHEMBL24312922

COc1cc(Oc2c(F)cc(C=O)cc2F)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 9/20 0.42
CYP1A1 P04798 7/20 0.42
CYP1B1 Q16678 7/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
NFE2L2 Q16236 2/20 0.41
LMNA P02545 1/20 0.41
ERN1 O75460 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL24313337 0.83 CYP1A1 (0.37) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL24313344 0.82 PRKDC (0.37) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL21855911 0.79 TDP1 (0.43) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL28360529 0.79 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL24068855 0.77 ALDH1A1 (0.79) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL14656252 0.77 SOS1 (0.44) ALDH1A1L3MBTL1NFE2L2LMNAKMT2A
SCHEMBL96291 0.76 ALDH1A1 (1.00) ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL14667727 0.76 HTR2A (0.39) ALDH1A1L3MBTL1KDM4ENFE2L2KMT2A
SCHEMBL14667733 0.75 KDM4E (0.47) ALDH1A1L3MBTL1KDM4ETDP1NFE2L2
SCHEMBL8544716 0.75 MAOA (0.41) ALDH1A1L3MBTL1LMNAMEN1MAPT

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 ALDH1A1 3071/4885L3MBTL1 1692/4885CYP1A2 3681/4885

“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.