SCHEMBL23968802

SCHEMBL23968802

CCCCC(C)(C)C1(C(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN1 P18031 1/20 0.30
ACP1 P24666 1/20 0.30
CDC25B P30305 1/20 0.30
TSHR P16473 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL20856803 0.85 CES2 (0.32) MEN1KMT2APTPN1ACP1CDC25B
SCHEMBL11026884 0.79 CYP2C19 (0.38) CYP2C19TSHR
Hydrochloric Acid SCHEMBL11028858 0.77 CYP2C19 (0.36) CYP2C19TSHR
SCHEMBL11526067 0.76 CES2 (0.35) MEN1KMT2APTPN1ACP1CDC25B
SCHEMBL23642516 0.74 ADORA3 (0.31) MEN1KMT2ACYP2C19TSHR
SCHEMBL20047451 0.73 CES2 (0.38) MEN1KMT2APTPN1TSHR
SCHEMBL233232 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL13446458 0.71 FFAR3 (0.38) CYP2C19TSHR
SCHEMBL9656053 0.69 CYP2C19 (0.33) MEN1KMT2ACYP2C19
SCHEMBL19307875 0.69 SMPD1 (0.38)

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-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 MEN1 1235/4885KMT2A 4106/4885CYP2C19 958/4885

“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.