SCHEMBL20173630

SCHEMBL20173630

CN(c1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.66
EPHX2 P34913 1/20 0.45
NR1H3 Q13133 1/20 0.41
CYP2A6 P11509 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CYP19A1 P11511 3/20 0.39
CSNK1D P48730 4/20 0.38
CSNK1G2 P78368 4/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
MLYCD O95822 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20650087 0.87 KIF11 (0.63) KIF11EPHX2NR1H3CYP2A6ALDH1A1
SCHEMBL8550513 0.85 CYP2A6 (0.52) KIF11NR1H3CYP2A6ALDH1A1ABCG2
SCHEMBL69655 0.85 KIF11 (0.86) KIF11EPHX2CYP2A6ALDH1A1CYP19A1
SCHEMBL1134090 0.83 TSHR (0.50) KIF11ALDH1A1TSHRLMNAHPGD
SCHEMBL13367563 0.80 KIF11 (0.59) KIF11EPHX2NR1H3CYP2A6ALDH1A1
SCHEMBL3420933 0.79 KIF11 (1.00) KIF11EPHX2CYP2A6ALDH1A1CYP19A1
SCHEMBL3421538 0.79 KIF11 (1.00) KIF11EPHX2CYP2A6ALDH1A1CYP19A1
SCHEMBL149439 0.78 TSHR (0.54) CYP2A6ALDH1A1ABCG2TSHRLMNA
SCHEMBL20800876 0.78 ALDH1A1 (0.70) CYP2A6ALDH1A1ABCG2TSHRLMNA
SCHEMBL15223262 0.78 KIF11 (0.56) KIF11EPHX2NR1H3CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 KIF11 3028/4885EPHX2 247/4885NR1H3 322/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 KIF11 1480/4885EPHX2 150/4885NR1H3 1237/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KIF11 3028/4885EPHX2 247/4885NR1H3 322/4885

“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.