SCHEMBL6572038

SCHEMBL6572038

CCC1(c2ccccc2)O[C@H](C(=O)O)[C@@](CC)(C(=O)O)O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MITF O75030 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
FDFT1 P37268 1/20 0.33

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
SCHEMBL6160340 0.72
SCHEMBL28585875 0.70 HCAR3 (0.43) CRHBPCRHR2MITFMEN1KMT2A
SCHEMBL7303287 0.70 TSHR (0.37) CRHBPCRHR2HCAR3HCAR2FDFT1
SCHEMBL273608 0.67 TSHR (0.39) MEN1KMT2AHCAR3HCAR2
SCHEMBL4884144 0.67 TSHR (0.39) MEN1KMT2AHCAR3HCAR2
SCHEMBL8876521 0.67 TSHR (0.39) MEN1KMT2AHCAR3HCAR2
SCHEMBL11068061 0.67 FDFT1 (0.42) CRHBPCRHR2MEN1KMT2AFDFT1
SCHEMBL10566794 0.66 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL18316474 0.64 CRHBP (0.44) CRHBPCRHR2MEN1KMT2AHCAR3
SCHEMBL2234611 0.64 CRHBP (0.44) CRHBPCRHR2MEN1KMT2AHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073045-A1 Pyrrolidine derivative and process for producing the same EISAI CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375479-A9 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375465-A1 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-01-02 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 (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-20040073045-A1 Pyrrolidine derivative and process for producing the same DHPS, SQLE, FDFT1 CRHBP 3407/4885CRHR2 3759/4885MITF 3568/4885

“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.