SCHEMBL22022936

SCHEMBL22022936

CCCCc1ccc(-c2ccc(CC(=O)Nc3cc4ccccc4cc3C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 1/20 0.53
▸ DHODH Q02127 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ACLY P53396 1/20 0.48
▸ RARB P10826 4/20 0.48
▸ METAP2 P50579 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RARA P10276 1/20 0.46
▸ RARG P13631 1/20 0.46
▸ PLK1 P53350 3/20 0.46
▸ PLK3 Q9H4B4 3/20 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
SCHEMBL22022879 0.93 ACLY (0.49) ABCC1DHODHMAPTTDP1KDM4E
SCHEMBL22022927 0.91 HCAR2 (0.57) ABCC1DHODHHCAR2
SCHEMBL22022919 0.88 ABCC1 (0.54) ABCC1MAPTKDM4EALDH1A1PKM
SCHEMBL22022878 0.88 ACLY (0.60) ABCC1MAPTKDM4EALDH1A1PKM
SCHEMBL22022895 0.84 ACLY (0.53) ABCC1MAPTKDM4EALDH1A1PKM
SCHEMBL22022937 0.84 HCAR2 (0.56) ABCC1MAPTKDM4EALDH1A1PKM
SCHEMBL22022884 0.83 ALDH1A1 (0.49) ABCC1KDM4EALDH1A1PKMACLY
SCHEMBL22022893 0.82 MEN1 (0.65) KDM4EALDH1A1ACLYRARBHCAR2
SCHEMBL22022870 0.81 ACLY (0.53) ABCC1MAPTKDM4EALDH1A1PKM
SCHEMBL22022881 0.81 HCAR2 (0.65) HCAR2

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-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-3890734-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-10-13 — — EP disclosed
WO-2020115019-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2020-06-11 — — WO 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 588/4885DHODH 1378/4885MAPT 4762/4885

“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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