SCHEMBL7804863

SCHEMBL7804863

CCOC(COc1ccccc1C[C@H](OCC)C(=O)OC)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 10/20 0.37
ADRB1 P08588 7/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9338341 0.79 L3MBTL1 (0.56) KDM4ECYP1A2ADRB2ADRB1TSHR
SCHEMBL7249906 0.76 PPARA (0.56)
SCHEMBL4756301 0.75 PPARG (0.41) LMNASMN1; SMN2HSD17B10MAPTL3MBTL1
SCHEMBL7069421 0.75 SIRT2 (0.43) KDM4ELMNASMN1; SMN2TSHRHSD17B10
SCHEMBL27541825 0.74 PPARA (0.50) LMNASMN1; SMN2MAPTL3MBTL1HTR1A
SCHEMBL1247116 0.74 ADRB2 (0.45) ADRB2ADRB1MAPTNPSR1L3MBTL1
SCHEMBL3372793 0.71 APP (0.42)
SCHEMBL5095387 0.71 APP (0.42)
SCHEMBL9119398 0.71 CYP4F2 (0.45) CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27424457 0.71 CHEK1 (0.38) KDM4ELMNACYP1A2SMN1; SMN2HSD17B10

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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 KDM4E 2843/4885LMNA 1390/4885CYP1A2 119/4885

“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.