SCHEMBL19735280

SCHEMBL19735280

CC(C)(C)c1ccc2oc3ccc(C#N)cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 7/20 0.49
▸ CSNK1G2 P78368 6/20 0.49
▸ KIF11 P52732 1/20 0.49
▸ PON1 P27169 1/20 0.43
▸ CSNK1A1 P48729 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CYP2A6 P11509 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CCR9 P51686 1/20 0.34
▸ TNKS O95271 1/20 0.34

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
SCHEMBL25708855 0.88 KIF11 (0.60) CSNK1DCSNK1G2KIF11CSNK1A1GSK3B
SCHEMBL23056731 0.84 PON1 (0.54) KIF11PON1L3MBTL1ALDH1A1MAPT
SCHEMBL548410 0.84 CYP2A6 (0.50) CYP2A6NOS3NOS1NOS2ALDH1A1
SCHEMBL25581993 0.83 CSNK1D (0.49) CSNK1DCSNK1G2KIF11PON1CSNK1A1
SCHEMBL29317164 0.82 PON1 (0.42) CSNK1DCSNK1G2KIF11PON1L3MBTL1
SCHEMBL17115476 0.82 CSNK1D (0.39) CSNK1DCSNK1G2KIF11PON1ALDH1A1
SCHEMBL24502078 0.81 KIF11 (0.55) CSNK1DCSNK1G2KIF11PON1ALDH1A1
SCHEMBL16806203 0.80 PON1 (0.51) KIF11PON1L3MBTL1ALDH1A1MAPT
SCHEMBL17115337 0.80 CSNK1D (0.38) CSNK1DCSNK1G2KIF11PON1ALDH1A1
SCHEMBL18713378 0.80 CSNK1D (0.38) CSNK1DCSNK1G2KIF11PON1ALDH1A1

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
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 — — 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 CSNK1D 2571/4885CSNK1G2 1324/4885KIF11 1106/4885

“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.

Send feedback