SCHEMBL17828722

SCHEMBL17828722

Fc1ccc2cc(-c3nc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)cc4)nc4c3ccc3ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
PIK3CA P42336 4/20 0.39
MTOR P42345 3/20 0.39
PIK3CD O00329 2/20 0.39
DHODH Q02127 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MAT2A P31153 1/20 0.33
DPP4 P27487 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL17828715 0.96 PIK3CA (0.39) NR3C1PIK3CAMTORPIK3CDDHODH
SCHEMBL17828742 0.94 PIK3CA (0.38) NR3C1PIK3CAMTORPIK3CDDHODH
SCHEMBL17829067 0.93 CYP1A2 (0.38) NR3C1PIK3CAMTORPIK3CDCYP1A2
SCHEMBL17828746 0.92 NR3C1 (0.39) NR3C1PIK3CAMTORPIK3CDCYP1A2
SCHEMBL17828709 0.90 PIK3CA (0.36) NR3C1PIK3CAMTORPIK3CDDHODH
SCHEMBL17829082 0.90 CYP1A1 (0.39) NR3C1CYP1A2CYP1A1CYP1B1EGFR
SCHEMBL17829085 0.90 CYP1A1 (0.40) NR3C1PIK3CAMTORPIK3CDCYP1A2
SCHEMBL17828776 0.89 PIK3CA (0.37) NR3C1PIK3CAMTORPIK3CDCYP1A2
SCHEMBL17828993 0.89 CYP1A1 (0.38) NR3C1CYP1A2CYP1A1CYP1B1GAA
SCHEMBL17829004 0.89 CYP1A1 (0.38) NR3C1CYP1A2CYP1A1CYP1B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 NR3C1 3085/4885PIK3CA 4604/4885MTOR 3428/4885

“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.