SCHEMBL13085461

SCHEMBL13085461

CCN1CCCCC1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL24437087 1.00 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL23251451 1.00 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL21216585 0.94 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7908562 0.94 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19423593 0.94 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18963699 0.84 GBA1 (0.36) KDM4EALDH1A1
SCHEMBL5989865 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28817875 0.80 S1PR1 (0.40)
SCHEMBL23717664 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21859847 0.79 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed
US-20220175788-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2022-06-09 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20210122745-A1 AZAINDOLYLPYRIDONE AND DIAZAINDOLYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2021-04-29 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
WO-2017140843-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2017-08-24 WO disclosed
EP-2241558-A1 Oxadiazole derivatives Merck Serono SA (CH) 2010-10-20 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 (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-20210122745-A1 AZAINDOLYLPYRIDONE AND DIAZAINDOLYLPYRIDONE COMPOUNDS AZI2, IAPP, ZFX KDM4E 181/4885ALDH1A1 1426/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885
US-20220175788-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES CDK6, IL6, CDK4 KDM4E 470/4885ALDH1A1 1187/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885ALDH1A1 791/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885ALDH1A1 838/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR KDM4E 2655/4885ALDH1A1 193/4885

“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.