SCHEMBL22178707

SCHEMBL22178707

Cc1ccccc1-c1ccc2c3c4c5ccc(-c6ccccc6C)cc5n5c6cc(-c7ccccc7C)ccc6c(c6c7ccc(-c8ccccc8C)cc7n(c2c1)c36)c45

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CHEK1 O14757 2/20 0.40
MCL1 Q07820 1/20 0.40
TRPA1 O75762 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTR7 P34969 2/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL22178595 0.95 CHEK1 (0.39) NR3C1PGRCHEK1MCL1TRPA1
SCHEMBL22178733 0.87 NR3C1 (0.44) NR3C1PGRMCL1TRPA1CTSD
SCHEMBL22178500 0.86 NR3C1 (0.41) NR3C1PGRMCL1TRPA1CTSD
SCHEMBL22178711 0.85 LMNA (0.36) NR3C1PGRCHEK1MCL1CYP1A2
SCHEMBL24601481 0.81 NTRK1 (0.39) NR3C1PGRCHEK1MCL1ALDH1A1
SCHEMBL22178720 0.80 NR3C1 (0.37) NR3C1PGRMCL1CYP1A2CYP3A4
SCHEMBL22178594 0.79 HSD17B10 (0.37) CHEK1ALDH1A1MAPK14MEN1KMT2A
SCHEMBL22178740 0.78 LMNA (0.39) NR3C1PGRMCL1TRPA1CTSD
SCHEMBL24601466 0.77 MAOB (0.44) ALDH1A1FEN1MEN1USP2LMNA
SCHEMBL24601825 0.76 TRPA1 (0.40) NR3C1PGRCHEK1TRPA1

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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 NR3C1 1173/4885PGR 1133/4885CHEK1 3842/4885

“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.