SCHEMBL21717633

SCHEMBL21717633

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4cc4c3c3cccc5c6c(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)c7ccccc7cc6n4c35)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
PDK2 Q15119 1/20 0.32
PGR P06401 2/20 0.30
TDP2 O95551 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
ALOX5 P09917 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
SCHEMBL21718293 0.92 PDK2 (0.32) PDK2
SCHEMBL21718028 0.92 CES1 (0.32) PDK2ALOX5
SCHEMBL21717631 0.91 ALOX5 (0.31) ALOX5
SCHEMBL21710719 0.88 CES1 (0.32)
SCHEMBL21718299 0.85 CES1 (0.32) ALOX5
SCHEMBL21718035 0.84 ALOX5 (0.31) ALOX5
SCHEMBL21718052 0.84 HTR6 (0.35) GPR84ALOX5
SCHEMBL21718304 0.83 GPR84 (0.38) GPR84ALOX5
SCHEMBL21718315 0.83 GPR84 (0.38) GPR84ALOX5
SCHEMBL21718072 0.82 CES1 (0.33) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-10-08 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 GPR84 4370/4885PDK2 1229/4885PGR 448/4885
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, RPS12 GPR84 2985/4885PDK2 2437/4885PGR 1525/4885

“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.