SCHEMBL20172830

SCHEMBL20172830

Cc1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KIF11 P52732 1/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL20172831 0.90 KIF11 (0.35) KIF11ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL20172798 0.89 GABRA1 (0.37) GABRA1GABRB2KIF11ELANEALDH1A1
SCHEMBL20172835 0.87 ACP1 (0.33) KIF11ELANEALDH1A1MEN1CYP2C19
SCHEMBL21020285 0.87 MEN1 (0.30) GABRA1GABRB2MEN1KMT2ACYP2A6
SCHEMBL20172797 0.85 MCL1 (0.39) ALDH1A1CYP2A6
SCHEMBL23967729 0.84 GABRA1 (0.36) GABRA1GABRB2KIF11ELANEMEN1
SCHEMBL20172826 0.84 KIF11 (0.32) KIF11MEN1CYP2C19KMT2A
SCHEMBL22053564 0.84 GABRA1 (0.36) GABRA1GABRB2KIF11ELANEMEN1
SCHEMBL19157017 0.84 GABRA1 (0.36) GABRA1GABRB2KIF11ELANEMEN1
SCHEMBL24206213 0.84 GABRA1 (0.36) GABRA1GABRB2KIF11ELANEMEN1

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
WO-2020159279-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885KIF11 3028/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885KIF11 3028/4885

“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.