SCHEMBL20648295

SCHEMBL20648295

CC1(C)c2ccccc2-c2ccc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 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
SCHEMBL19089808 1.00 PDK2 (0.31) PDK2ALDH1A1LMNA
SCHEMBL20648356 1.00 PDK2 (0.31) PDK2ALDH1A1LMNA
SCHEMBL19089964 1.00 PDK2 (0.31) PDK2ALDH1A1LMNA
SCHEMBL19098346 1.00 PDK2 (0.31) PDK2ALDH1A1LMNA
SCHEMBL19098358 1.00 PDK2 (0.31) PDK2ALDH1A1LMNA
SCHEMBL19098369 0.99 PDK2 (0.32) PDK2ALDH1A1LMNA
SCHEMBL19097990 0.96 PDK2 (0.30) PDK2
SCHEMBL19098283 0.96 PDK2 (0.30) PDK2
SCHEMBL21971872 0.96 MEN1 (0.32) PDK2
SCHEMBL22517322 0.94 MEN1 (0.33) ALDH1A1LMNA

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-10941108-B2 Organic compound and organic electroluminescent element comprising same MATERIAL SCIENCE CO., LTD. 2021-03-09 — — US disclosed
US-20190016666-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-17 — — 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-10941108-B2 Organic compound and organic electroluminescent element comprising same OCIAD2, OR51E2, OCIAD1 PDK2 2822/4885ALDH1A1 277/4885LMNA 2950/4885
US-20190016666-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD2, OR51E2, OCIAD1 PDK2 2822/4885ALDH1A1 277/4885LMNA 2950/4885

“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.

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