SCHEMBL13299524

SCHEMBL13299524

CC(C)Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.43
PDE6D O43924 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL13299541 0.87 NLRP3 (0.52) ESR1ESR2TP53KDM4EALDH1A1
SCHEMBL24477051 0.87 TP53 (0.45) ESR1ESR2TP53LMNAGAA
SCHEMBL13299525 0.86 ESR1 (0.48) ESR1ESR2TP53LMNAGAA
SCHEMBL25923604 0.82 ESR1 (0.49) ESR1ESR2TP53LMNAGAA
SCHEMBL13299523 0.81 ESR1 (0.48) ESR1ESR2TP53LMNAGAA
SCHEMBL2456887 0.79 ESR1 (0.51) ESR1ESR2TP53LMNAGAA
SCHEMBL13299515 0.78 TSHR (0.68) ESR1ESR2TP53LMNAGAA
SCHEMBL20283975 0.77 ESR1 (0.41) ESR1ESR2TP53LMNAGAA
SCHEMBL21185764 0.77 ESR1 (0.55) ESR1ESR2TP53LMNAGAA
SCHEMBL23266608 0.76 ESR1 (0.58) ESR1ESR2TP53LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173333-A1 HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF CHANGCHUN HYPERIONS TECHNOLOGY CO., LTD (CN) 2022-06-02 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 WO 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 ESR1 1399/4885ESR2 1078/4885TP53 2898/4885
US-20220173333-A1 HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF KCNH1, OCIAD2, ETFB ESR1 330/4885ESR2 449/4885TP53 4009/4885

“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.