SCHEMBL21160892

SCHEMBL21160892

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
BCHE P06276 4/20 0.33
MAPT P10636 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
SCHEMBL21160859 1.00 ALDH1A1 (0.38) ALDH1A1BCHEMAPT
SCHEMBL21159683 1.00 ALDH1A1 (0.38) ALDH1A1BCHEMAPT
SCHEMBL21160985 1.00 ALDH1A1 (0.38) ALDH1A1BCHEMAPT
SCHEMBL21160902 1.00 ALDH1A1 (0.38) ALDH1A1BCHEMAPT
SCHEMBL18324671 0.91 ALDH1A1 (0.33) ALDH1A1BCHE
SCHEMBL21097547 0.91 ALDH1A1 (0.33) ALDH1A1BCHE
SCHEMBL12572570 0.91 ALDH1A1 (0.33) ALDH1A1BCHE
SCHEMBL25097621 0.87 THRB (0.52) ALDH1A1BCHEMAPT
SCHEMBL21160903 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21160798 0.87 ALDH1A1 (0.31) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186678-B2 Radical cascade-enabled synthesis of precision polymers with complex main-chain structures TRUSTEES OF BOSTON COLLEGE (US) 2021-11-30 US disclosed
US-20200216610-A1 RADICAL CASCADE-ENABLED SYNTHESIS OF PRECISION POLYMERS WITH COMPLEX MAIN-CHAIN STRUCTURES TRUSTEES OF BOSTON COLLEGE (US) 2020-07-09 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-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 (2 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885BCHE 2101/4885MAPT 3955/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 ALDH1A1 1706/4885BCHE 2101/4885MAPT 3955/4885

“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.