SCHEMBL799166

SCHEMBL799166

CC(C)NC(=O)c1ccccc1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.53
KCNK9 Q9NPC2 3/20 0.53
ALDH1A1 P00352 4/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5 P09917 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
SCHEMBL22924507 0.87 MEN1 (0.47) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL13753376 0.85 LMNA (0.53) KCNK3KCNK9ALDH1A1PKMKDM4E
SCHEMBL163587 0.84 ALDH1A1 (0.54) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL24247192 0.84 KCNK3 (0.43) KCNK3KCNK9ALDH1A1PKMKDM4E
SCHEMBL10954722 0.84 KDM4E (0.47) ALDH1A1PKMKDM4EHTTLMNA
SCHEMBL798983 0.82 KMT2A (0.54) KCNK3KCNK9ALDH1A1KDM4ELMNA
SCHEMBL8195324 0.82 GAA (0.57) KCNK3KCNK9HTTLMNAKMT2A
SCHEMBL30183388 0.82 GAA (0.57) KCNK3KCNK9HTTLMNAKMT2A
SCHEMBL22570394 0.82 GAA (0.55) KCNK3KCNK9KDM4EHTTLMNA
SCHEMBL26856293 0.81 KCNK3 (0.54) KCNK3KCNK9ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (5 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 KCNK3 4475/4885KCNK9 4503/4885ALDH1A1 2716/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 KCNK3 4475/4885KCNK9 4503/4885ALDH1A1 2716/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 KCNK3 628/4885KCNK9 1510/4885ALDH1A1 1882/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 KCNK3 516/4885KCNK9 338/4885ALDH1A1 1954/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KCNK3 4327/4885KCNK9 4243/4885ALDH1A1 3750/4885

“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.