SCHEMBL22815334

SCHEMBL22815334

CC(C)(C)c1ccc2occ(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.43
▸ KIF11 P52732 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL23478525 0.85 PON1 (0.36) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL20274083 0.81 EPHX2 (0.41) KIF11ALDH1A1HSD17B10MAPTTSHR
SCHEMBL2707035 0.79 PON1 (0.41) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL13561307 0.79 PON1 (0.41) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL23405763 0.78 PON1 (0.40) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL25396964 0.78 PON1 (0.40) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL23405765 0.78 PON1 (0.40) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL24779278 0.78 ALDH1A1 (0.44) PON1KIF11ALDH1A1HPGDALOX15
SCHEMBL25037452 0.75 PON1 (0.51) PON1MAPTHTR1D
SCHEMBL13824710 0.75 ALDH1A1 (0.45) ALDH1A1TDP1CYP2C19MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
US-20220119385-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 — — US disclosed
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 — — US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 — — US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 — — US disclosed
US-20200397797-A1 HETEROCYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-24 — — 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 (6 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 PON1 3785/4885KIF11 2014/4885ALDH1A1 1943/4885
US-20220119385-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 PON1 2581/4885KIF11 1361/4885ALDH1A1 543/4885
US-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL PON1 1719/4885KIF11 1584/4885ALDH1A1 648/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL PON1 1719/4885KIF11 1584/4885ALDH1A1 648/4885
US-20200397797-A1 HETEROCYCLIC COMPOUNDS SLC10A1, CFTR, PKD1 PON1 2351/4885KIF11 2118/4885ALDH1A1 296/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL PON1 1719/4885KIF11 1584/4885ALDH1A1 648/4885

“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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