SCHEMBL21662364

SCHEMBL21662364

CC1(C)OB(c2ccc(-c3ccc4c(c3)C3CC5CC6CC4CC65C3)nc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.43
LPL P06858 7/20 0.34
LIPG Q9Y5X9 7/20 0.34
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL23956056 0.87 DGAT1 (0.41) DGAT1LPLLIPG
SCHEMBL19295082 0.85 DGAT1 (0.47) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL19794326 0.85 DGAT1 (0.49) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL23018705 0.85 DGAT1 (0.39) DGAT1
SCHEMBL19933760 0.84 DGAT1 (0.47) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL19794327 0.84 DGAT1 (0.47) DGAT1LPLLIPGPDGFRBKDR
SCHEMBL19933609 0.83 DGAT1 (0.34) DGAT1PDGFRBKDR
SCHEMBL18309467 0.83 LIPG (0.36) LPLLIPG
SCHEMBL23956047 0.77 DGAT1 (0.42) DGAT1LPLLIPG
SCHEMBL21202733 0.77 BACE1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526226-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC DGAT1 2100/4885LPL 4826/4885LIPG 4416/4885

“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.