SCHEMBL25613528

SCHEMBL25613528

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGS2 P35354 10/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGS1 P23219 3/20 0.45
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42

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
SCHEMBL26673690 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP2D6MAPK1LMNA
SCHEMBL25613491 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP2D6MAPK1LMNA
SCHEMBL25613451 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP2D6MAPK1LMNA
SCHEMBL26705907 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP2D6MAPK1LMNA
SCHEMBL25613459 0.91 TSHR (0.58) SMN1; SMN2TSHRCYP2D6LMNAALDH1A1
SCHEMBL25613492 0.91 TSHR (0.58) SMN1; SMN2TSHRCYP2D6LMNAALDH1A1
SCHEMBL20534355 0.91 TSHR (0.58) SMN1; SMN2TSHRCYP2D6LMNAALDH1A1
SCHEMBL22666659 0.91 TSHR (0.58) SMN1; SMN2TSHRCYP2D6LMNAALDH1A1
SCHEMBL25613447 0.87 ALDH1A1 (0.42) SMN1; SMN2TSHRCYP2D6MAPK1LMNA
SCHEMBL25613449 0.87 ALDH1A1 (0.42) SMN1; SMN2TSHRCYP2D6MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802187-B2 Polyphenylenes, methods, and uses thereof SIMON FRASER UNIVERSITY (CA) 2023-10-31 — — US disclosed
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 (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-11802187-B2 Polyphenylenes, methods, and uses thereof PICALM, PARN, PHOSPHO1 SMN1; SMN2 3835/4885TSHR 4449/4885CYP2D6 4065/4885
US-20230159716-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 SMN1; SMN2 3863/4885TSHR 4439/4885CYP2D6 4009/4885

“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