SCHEMBL6806743

SCHEMBL6806743

COC1(OC)c2ccccc2CC12Cc1ccccc1C2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
CYP2D6 P10635 1/20 0.34
PRNP P04156 3/20 0.34
POLB P06746 2/20 0.34
PPARG P37231 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
PPIB P23284 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.32

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
SCHEMBL6806744 0.89 PPIB (0.37) L3MBTL1NPSR1LMNAHTTHTR2A
SCHEMBL6796508 0.76 ALDH1A1 (0.46) L3MBTL1NPSR1LMNAHTTHTR2A
SCHEMBL29498104 0.73 L3MBTL1 (0.46) L3MBTL1NPSR1LMNAHTTHTR2A
SCHEMBL1793005 0.73 L3MBTL1 (0.46) L3MBTL1NPSR1LMNAHTTHTR2A
Hydrochloric Acid SCHEMBL6600350 0.71 L3MBTL1 (0.45) L3MBTL1NPSR1LMNAHTTHTR2A
SCHEMBL31096283 0.71 ALDH1A1 (0.44) L3MBTL1NPSR1LMNAHTTCYP2D6
SCHEMBL8106287 0.71 HTR2A (0.33) HTR2ASIGMAR1CYP2D6
SCHEMBL132951 0.69 ALDH1A1 (0.41) L3MBTL1NPSR1LMNAHTTCYP2D6
SCHEMBL28221842 0.67 SIGMAR1 (0.33) LMNAHTR2ASIGMAR1CYP2D6
SCHEMBL6796515 0.67 ALDH1A1 (0.56) L3MBTL1NPSR1LMNAHTTCYP2D6

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-20040082642-A1 Novel estrogen receptor ligands and method III MERCK & CO., INC. 2004-04-29 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-20040082642-A1 Novel estrogen receptor ligands and method III ESRRA, ESRRB, FSHR L3MBTL1 3638/4885NPSR1 119/4885LMNA 1190/4885

“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.