SCHEMBL24340930

SCHEMBL24340930

FC(F)(F)c1cccc(OC[C@H]2CO2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.70
TSHR P16473 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HIF1A Q16665 2/20 0.70
CYP3A4 P08684 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KMT2A Q03164 3/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 1/20 0.57
GRM2 Q14416 1/20 0.57
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOB P27338 1/20 0.46
AOC3 Q16853 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5513268 1.00 TP53 (0.70) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL21081179 0.88 ALDH1A1 (0.66) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL8847744 0.84 ALDH1A1 (0.70) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL3138691 0.84 ALDH1A1 (0.70) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL11742141 0.84 KMT2A (0.53) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL31537008 0.83 ALDH1A1 (1.00) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL12289601 0.83 ALDH1A1 (1.00) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL37802 0.83 ALDH1A1 (1.00) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL31537002 0.83 ALDH1A1 (1.00) TP53TSHRALDH1A1HIF1ACYP3A4
SCHEMBL13806572 0.83 ALDH1A1 (1.00) TP53TSHRALDH1A1HIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed
US-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-09-08 US disclosed
WO-2022057734-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR 凯特立斯(深圳)科技有限公司 2022-03-24 WO 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-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF PTGES, PTGIS, PTGES2 TP53 2651/4885TSHR 4078/4885ALDH1A1 915/4885

“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.