SCHEMBL16893906

SCHEMBL16893906

[CH2]COCSc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
AGXT P21549 2/20 0.40
BACE1 P56817 7/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.37
STAT3 P40763 1/20 0.37
CNR2 P34972 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL453379 0.78 ANPEP (0.50) ANPEPBACE1CYP3A4CYP2C9CYP2C19
SCHEMBL16893596 0.78 ALDH1A1 (0.48) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL11454834 0.75 BACE1 (0.50) ANPEPBACE1MAPK1TDP1CYP3A4
SCHEMBL28251159 0.73 ANPEP (0.53) ANPEPBACE1TDP1CYP3A4LMNA
SCHEMBL9770073 0.73 BACE1 (0.56) ANPEPBACE1KDM4EMAPK1TDP1
SCHEMBL29738643 0.73 BACE1 (0.56) ANPEPBACE1KDM4EMAPK1TDP1
SCHEMBL28489798 0.73 ANPEP (0.43) ANPEPKDM4ETDP1CYP3A4CYP2C9
SCHEMBL16893768 0.72 THRB (0.50) ANPEPKDM4EMAPK1TDP1CYP3A4
SCHEMBL16893879 0.72 BACE1 (0.55) ANPEPBACE1TDP1CYP3A4CYP2C9
SCHEMBL3894693 0.71 ANPEP (0.51) ANPEPBACE1KDM4EMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US claimed
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2022-08-18 US claimed
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US disclosed
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2022-08-18 US disclosed
US-20150198740-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, PRODUCTION METHOD FOR SAME, AND OPTICAL SHEET AND OPTICAL DEVICE OF SAME CHANGKANG CHEMICAL CO., LTD. (KR) 2015-07-16 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 (2 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-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method AOX1, LOXL1, SEM1 ANPEP 3800/4885AGXT 1667/4885BACE1 632/4885
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method TTPA, LOX, AOX1 ANPEP 3630/4885AGXT 1302/4885BACE1 1634/4885

“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.