SCHEMBL22386507

SCHEMBL22386507

Cc1cc(C(C)(C)C)cc(C)c1C1=c2cc3cc4c(cc3cc2C2=C1S(=O)(=O)c1ccccc12)=C(c1c(C)cc(C(C)(C)C)cc1C)C1=C4c2ccccc2S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PLA2G1B P04054 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL22386468 0.95 GPR3 (0.33) GPR3NPC1RAB9AKDM4EGAA
SCHEMBL22386452 0.92 — —
SCHEMBL22386436 0.90 GPR3 (0.33) GPR3NPC1RAB9AKDM4EGAA
SCHEMBL22386456 0.89 POLB (0.36) GPR3KDM4EKMT2AMEN1TDP1
SCHEMBL22386457 0.86 — —
SCHEMBL22386464 0.86 — —
SCHEMBL22386438 0.84 NPC1 (0.37) GPR3NPC1RAB9AKDM4EGAA
SCHEMBL22386423 0.79 POLB (0.39) GPR3KDM4EGAAKMT2AMEN1
SCHEMBL22386421 0.77 NPC1 (0.37) GPR3NPC1RAB9AKDM4EGAA
SCHEMBL22386453 0.74 MAOB (0.33) GPR3HPGDKMT2AMEN1

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-11021489-B2 Polycyclic aromatic compound embodiments and methods of making and using the same UNIVERSITY OF OREGON (US) 2021-06-01 — — US disclosed
US-20200277302-A1 POLYCYCLIC AROMATIC COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF OREGON (US) 2020-09-03 — — 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-20200277302-A1 POLYCYCLIC AROMATIC COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME AHR, EED, ARNT GPR3 1589/4885NPC1 4322/4885RAB9A 4423/4885
US-11021489-B2 Polycyclic aromatic compound embodiments and methods of making and using the same AHR, EED, ARNT GPR3 1589/4885NPC1 4322/4885RAB9A 4423/4885

“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