SCHEMBL22022919

SCHEMBL22022919

CCc1ccc(-c2ccc(CC(=O)Nc3cc4ccccc4cc3C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ PKM P14618 1/20 0.52
▸ ACLY P53396 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ NGLY1 Q96IV0 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL22022878 0.92 ACLY (0.60) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022870 0.92 ACLY (0.53) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022895 0.89 ACLY (0.53) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022937 0.89 HCAR2 (0.56) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022936 0.88 ABCC1 (0.53) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022884 0.87 ALDH1A1 (0.49) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022935 0.82 ACLY (0.57) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022912 0.82 ALDH1A1 (0.57) ABCC1ALDH1A1KDM4EPKMMAPT
SCHEMBL22022920 0.81 ACLY (0.54) ABCC1ALDH1A1KDM4EPKMACLY
SCHEMBL22022881 0.80 HCAR2 (0.65) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP 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-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES KCNK2, KCNT2, KCNT1 ABCC1 588/4885ALDH1A1 3537/4885KDM4E 967/4885

“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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