SCHEMBL4901952

SCHEMBL4901952

Cc1ccccc1Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CCR4 P51679 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.41
SLC2A1 P11166 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL24318836 0.98 P2RX7 (0.45) P2RX7CCR4MAPTRAB9AHTT
SCHEMBL28424696 0.95 KIF11 (0.44) P2RX7CCR4MAPTRAB9AHTT
SCHEMBL17546531 0.88 AKR1C3 (0.45) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL12320134 0.86 GAA (0.45) P2RX7MAPTRAB9AMEN1KMT2A
SCHEMBL108882 0.85 MAPT (0.54) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL29653984 0.85 MAPT (0.54) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL22432439 0.85 NR3C2 (0.49) CCR4MAPTRAB9AHTTMEN1
SCHEMBL21439856 0.83 MEN1 (0.62) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL28194326 0.82 AKR1C3 (0.49) MAPTGAATDP1ALDH1A1TSHR
SCHEMBL24948445 0.82 RAB9A (0.39) P2RX7MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201293-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-14 US disclosed
CN-109863153-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2021-09-21 CN disclosed
EP-3564249-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-01-20 EP disclosed
EP-3544984-B1 BISBENZOFURAN-FUSED 2,8-DIAMINOINDENO[1,2-B]FLUORENE DERIVATIVES AND RELATED COMPOUNDS AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES (OLED) MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 US disclosed
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-10-24 US disclosed
CN-109863153-A HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 株式会社LG化学 2019-06-07 CN disclosed
US-20080303425-A1 CHRYSENES FOR BLUE LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2008-12-11 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-11201293-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CRY1, CYP1B1 P2RX7 923/4885CCR4 3479/4885MAPT 1591/4885
US-20080303425-A1 CHRYSENES FOR BLUE LUMINESCENT APPLICATIONS CRY2, CRY1, CYBA P2RX7 1952/4885CCR4 2552/4885MAPT 1218/4885
US-20190326517-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CRY1, CYP1B1 P2RX7 923/4885CCR4 3479/4885MAPT 1591/4885

“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.