SCHEMBL21160798

SCHEMBL21160798

CC(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
SCHEMBL21099897 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21161028 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21160903 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21160828 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21160892 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21159683 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21160859 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21160985 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21160902 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23895358 0.85 ALDH1A1 (0.39) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-20230295510-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230295510-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-20230024370-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-11306251-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-04-19 US disclosed
US-20210179942-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-20200347301-A1 Isothiocyanato-tolanes MERCK PATENT GMBH (DE) 2020-11-05 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190352564-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (4 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 ALDH1A1 1864/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 ALDH1A1 1136/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885

“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.