SCHEMBL23917880

SCHEMBL23917880

CC(C)(C)c1cccc2c1[nH]c1c3ccccc3ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.62
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPRT1 P00492 1/20 0.39
RAB9A P51151 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2A6 P11509 2/20 0.37
MCL1 Q07820 1/20 0.37
USP2 O75604 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
SCHEMBL19893735 0.85 KIF11 (0.74) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29360591 0.85 KIF11 (0.74) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29368226 0.81 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL30914261 0.81 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL5466693 0.81 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL24245517 0.79 KIF11 (0.61) KIF11KDM4ERAB9ASIRT2SIRT1
SCHEMBL19429423 0.77 KIF11 (0.38) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL33523872 0.77 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29250372 0.77 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL28758305 0.77 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT

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-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-05-16 US disclosed
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-10-14 US disclosed
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 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-11653562-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OPA1, ODC1, TMEM109 KIF11 1491/4885ALDH1A1 117/4885KDM4E 1399/4885
US-20210320252-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OPA1, ODC1, TMEM109 KIF11 1491/4885ALDH1A1 117/4885KDM4E 1399/4885

“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.