SCHEMBL24619989

SCHEMBL24619989

CCOc1cncc(-c2ccc(C=O)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.44
▸ CYP11B2 P19099 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ DHFR P00374 1/20 0.40
▸ CHRNB2 P17787 3/20 0.38
▸ CHRNB4 P30926 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRNB3 Q05901 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PIK3CG P48736 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ AGPAT2 O15120 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL26657655 0.81 MAOA (0.45) ALDH1A1KDM4ES1PR1MAPTTDP1
SCHEMBL29793284 0.81 MAOA (0.45) ALDH1A1KDM4ES1PR1MAPTTDP1
SCHEMBL16180169 0.78 CYP11B1 (0.52) CYP11B1CYP11B2ALDH1A1CHRNB2CHRNB4
SCHEMBL26849986 0.77 MAOB (0.46) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL26681226 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL30687704 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL26849976 0.76 MAOB (0.37) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL29793263 0.75 CHRNB1 (0.47) CYP11B1CYP11B2ALDH1A1CHRNB2CHRNB4
SCHEMBL24619850 0.75 CHRNB1 (0.47) CYP11B1CYP11B2ALDH1A1CHRNB2CHRNB4
SCHEMBL3884124 0.75 CHRNB2 (0.55) CYP11B1CYP11B2ALDH1A1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 — — US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 — — EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 — — EP disclosed
CN-116829524-A Method for alkylating acidic functional groups 中外制药株式会社 2023-09-29 — — CN disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 — — CN disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 — — WO disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 — — WO 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF CYP11B1 373/4885CYP11B2 347/4885ALDH1A1 446/4885

“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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