SCHEMBL22139372

SCHEMBL22139372

CCCC1=C(O)/C(=C2\C(=O)C(c3c(O)cc(O)c(CCC)c3O)=C2O)C(O)=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.34
▸ MPEG1 Q2M385 7/20 0.34
▸ XIAP P98170 5/20 0.34
▸ GPR84 Q9NQS5 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KAT2B Q92831 1/20 0.34

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
SCHEMBL22139376 0.78 HSP90AA1 (0.30) —
SCHEMBL22139358 0.76 XIAP (0.39) XIAPKDM4EMEN1ALDH1A1MAPT
SCHEMBL22139362 0.72 XIAP (0.34) XIAPKDM4EMEN1ALDH1A1TP53
SCHEMBL22139367 0.71 ALOX5 (0.33) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL22139360 0.69 KDM4E (0.34) XIAPKDM4EMEN1USP2ALDH1A1
SCHEMBL22139377 0.66 NQO1 (0.36) —
SCHEMBL22139397 0.66 XIAP (0.41) XIAPKDM4EALDH1A1MAPTCYP2C9
SCHEMBL22139375 0.66 PTGES (0.33) ALOX5MEN1PTGESHPGDKMT2A
SCHEMBL22139370 0.64 HPGD (0.46) ALOX5KDM4EALDH1A1CYP2D6HPGD
SCHEMBL22139365 0.62 PTGES (0.35) ALOX5KDM4EMEN1PTGESALDH1A1

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-20200199058-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES NITTO DENKO CORPORATION (JP) 2020-06-25 — — 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-20200199058-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES SQLE, FDFT1, ALDH1A2 ALOX5 1459/4885MPEG1 1728/4885XIAP 930/4885

“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.

Send feedback