SCHEMBL20249889

SCHEMBL20249889

O=P(c1ccccc1)(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(F)ccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(F)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.43
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
GPR3 P46089 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA5 P22460 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
SCHEMBL11991037 0.93 PDK2 (0.42) PDK2LMNAGPR3
SCHEMBL11991040 0.93 PDK2 (0.42) PDK2LMNAGPR3
SCHEMBL29842660 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL29865503 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL12016691 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL17928303 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL132071 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL30807114 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL29511972 0.91 LMNA (0.39) PDK2LMNA
SCHEMBL132981 0.91 LMNA (0.39) PDK2LMNA

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-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-14 US disclosed
US-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-14 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 (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-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME RCC1, CCNA1, CTCF PDK2 2677/4885AKR1A1 2256/4885AKR1B1 2632/4885

“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.