SCHEMBL21170666

SCHEMBL21170666

COC(=O)c1ccc(CC[C@H](C(=O)O)c2ccc(/C=C/C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2669791 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL11969713 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL2662481 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL11969709 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL2662483 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL2669644 0.89 ESR1 (0.41) CYP4A11CYP4F2PTPN1ALDH1A1HDAC3
SCHEMBL2661470 0.77 ALDH1A1 (0.46) PTPN1ALDH1A1NPC1LMNAMAPT
SCHEMBL2661469 0.77 ALDH1A1 (0.46) PTPN1ALDH1A1NPC1LMNAMAPT
SCHEMBL11999631 0.75 PTGS1 (0.41) LMNACYP2C9CYP2C19HSD17B10
SCHEMBL11999632 0.75 PTGS1 (0.41) LMNACYP2C9CYP2C19HSD17B10

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-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 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-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP4A11 891/4885CYP4F2 2663/4885MMP2 3705/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 CYP4A11 786/4885CYP4F2 2461/4885MMP2 3600/4885

“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.