SCHEMBL21453320

SCHEMBL21453320

CC(C)(C)Cc1ccc2c(c1)c1ncccc1n2-c1cncnc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PDE10A Q9Y233 3/20 0.32
CYP1A2 P05177 2/20 0.32
METAP2 P50579 2/20 0.32
CYP3A4 P08684 1/20 0.30
ABCC1 P33527 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
SCHEMBL21453326 0.91 CYP1A2 (0.41) RORCPDE10ACYP1A2METAP2CYP3A4
SCHEMBL21453322 0.88 RORC (0.34) RORCPDE10A
SCHEMBL21453324 0.84 RORC (0.36) RORCCYP1A2CYP3A4ABCC1
SCHEMBL21453328 0.83 PTGDR2 (0.39) RORC
SCHEMBL21453321 0.81 FFAR4 (0.36) RORCPDE10A
SCHEMBL21453318 0.75 CYP1A2 (0.41) CYP1A2METAP2CYP3A4
SCHEMBL21008822 0.70 CYP1A2 (0.32) CYP1A2METAP2
SCHEMBL1611068 0.70 CYP1A2 (0.46) CYP1A2METAP2CYP3A4
SCHEMBL26998656 0.70 KDM4E (0.46) RORCCYP1A2CYP3A4
SCHEMBL21453323 0.69 PDE10A (0.35) PDE10ACYP1A2METAP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 RORC 3456/4885PDE10A 3529/4885CYP1A2 802/4885

“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.