SCHEMBL25613449

SCHEMBL25613449

Cc1ccc(C2=C(c3ccccc3)C(c3cncc(C4=C(c5ccc(C)cc5)C(=O)C(c5ccc(S(=O)(=O)O)cc5)=C4c4ccccc4)n3)=C(c3ccc(C)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PTGS2 P35354 5/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ NR1H2 P55055 1/20 0.37

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
SCHEMBL26672982 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL22666718 0.94 TSHR (0.42) SMN1; SMN2CYP2D6PTGS2PTGS1TSHR
SCHEMBL26673690 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL25613528 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL26705907 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL25613491 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL25613451 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL26672978 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL25613447 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL22666659 0.79 TSHR (0.58) ALDH1A1LMNASMN1; SMN2CYP2D6PTGS2

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-20230159716-A1 POLYPHENYLENES, METHODS, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2023-05-25 — — 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-20230159716-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 ALDH1A1 4799/4885KDM4E 4687/4885MAPT 2911/4885

“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.

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