Sugi Predict

Sugi Predict / Compounds / SCHEMBL20152514

SCHEMBL20152514

SCHEMBL20152514

CC(C)N(c1ccccc1)c1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMAD3 P84022 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL13338701 0.92 PDK2 (0.43) PDK2MAPTHTTKMT2ANPC1
SCHEMBL13338628 0.92 PDK2 (0.38) PDK2MAPTHTTKMT2ANPC1
SCHEMBL13338607 0.92 PDK2 (0.38) PDK2MAPTHTTKMT2ANPC1
SCHEMBL13338424 0.92 PDK2 (0.40) PDK2MAPTHTTKMT2ANPC1
SCHEMBL20199433 0.90 AKR1C3 (0.38) MAPTHTTKMT2ANPC1LMNA
SCHEMBL13338605 0.89 PDK2 (0.38) PDK2MAPTHTTKMT2ANPC1
SCHEMBL13338425 0.89 PDK2 (0.40) PDK2MAPTHTTKMT2ANPC1
SCHEMBL24206383 0.88 PTGS2 (0.35) PDK2MAPTHTTKMT2ANPC1
SCHEMBL13338387 0.87 PDK2 (0.42) PDK2MAPTHTTKMT2ANPC1
SCHEMBL20199434 0.87 PDK2 (0.37) PDK2MAPTHTTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 — — US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 — — US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 — — US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 — — US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 — — 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 (3 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 PDK2 2455/4885MAPT 530/4885HTT 1656/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 PDK2 484/4885MAPT 1276/4885HTT 830/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 PDK2 2455/4885MAPT 530/4885HTT 1656/4885

“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.