SCHEMBL20737864

SCHEMBL20737864

CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(ccc3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP1A2 P05177 2/20 0.33
DHFR P00374 1/20 0.33
CYP2D6 P10635 1/20 0.33
AKR1B1 P15121 1/20 0.33
CRHR1 P34998 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL20737816 0.98 AKR1C3 (0.36) PDK2AKR1C3AKR1C2CYP1A2DHFR
SCHEMBL20737674 0.96 PDK2 (0.38) PDK2AKR1C3AKR1C2
SCHEMBL20737358 0.95 AKR1C3 (0.36) PDK2AKR1C3AKR1C2CYP1A2DHFR
SCHEMBL20736270 0.94 PDK2 (0.36) PDK2AKR1C3AKR1C2
SCHEMBL27251145 0.93 PDK2 (0.34) PDK2AKR1C3AKR1C2DHFRCRHR1
SCHEMBL20737012 0.93 AKR1C3 (0.32) PDK2AKR1C3AKR1C2CYP1A2DHFR
SCHEMBL20736343 0.91 PDK2 (0.37) PDK2AKR1C3AKR1C2
SCHEMBL20736329 0.91 AKR1C3 (0.33) AKR1C3AKR1C2AKR1B1
SCHEMBL20737807 0.91 PDK2 (0.33) PDK2AKR1C3AKR1C2DHFRAKR1B1
SCHEMBL20737339 0.90 PDK2 (0.36) PDK2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 US disclosed
US-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 US disclosed
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-02-14 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 (3 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-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PDK2 2420/4885AKR1C3 3227/4885AKR1C2 2384/4885
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, ESR1, LEF1 PDK2 2420/4885AKR1C3 3227/4885AKR1C2 2384/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PDK2 2420/4885AKR1C3 3227/4885AKR1C2 2384/4885

“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.