SCHEMBL26322303

SCHEMBL26322303

CC1(C)OC[C@H](C/C=C/CO)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
TBXA2R P21731 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXAS1 P24557 5/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL10249454 1.00 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591536 1.00 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591538 1.00 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL591537 1.00 CA2 (0.40) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL13305488 0.83 CA2 (0.41) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL7154235 0.82 CA2 (0.38) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL7156281 0.82 CA2 (0.38) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL17888068 0.81 CA2 (0.44) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL13305659 0.80 CA2 (0.39) CA2TBXA2RTMEM97SIGMAR1ALDH1A1
SCHEMBL14169666 0.79 CA2 (0.41) CA2TBXA2RTMEM97SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 CA2 4061/4885TBXA2R 260/4885TMEM97 3065/4885

“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.