SCHEMBL10071257

SCHEMBL10071257

CC[C@H](C)[C@H](C)CCC(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL12332934 1.00 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL10071256 1.00 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL12332692 1.00 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL14303886 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6549892 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6550392 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4373923 0.79 ALDH1A1 (0.47) ALDH1A1
SCHEMBL21925343 0.79 RIPK1 (0.37) TSHR
SCHEMBL5370214 0.77 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL10041429 0.75 ALDH1A1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-28 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 (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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 ALDH1A1 759/4885TSHR 2294/4885

“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.