SCHEMBL17404402

SCHEMBL17404402

CC1(C)c2cc(Cl)ccc2-c2c(-c3ccccc3)c3ccc(Cl)cc3c3cccc1c23

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.37
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
MAP2 P11137 2/20 0.34
FABP5 Q01469 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MDM2 Q00987 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
SCHEMBL17404398 0.85 CRHR1 (0.32) AKR1A1AKR1B1PDK2
SCHEMBL17404400 0.84 AKR1A1 (0.31) AKR1A1AKR1B1PDK2
SCHEMBL17404325 0.81
SCHEMBL25129196 0.81 PDK2 (0.32) DPP4FABP3FABP4MAP2FABP5
SCHEMBL17404345 0.79 PGR (0.31) PDK2
SCHEMBL17404331 0.79
SCHEMBL21217710 0.79 MEN1 (0.39) DPP4PDK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL17404279 0.78 PDK2 (0.32) PDK2
SCHEMBL17404344 0.78 PGR (0.31) PDK2
SCHEMBL17404346 0.78

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-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 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-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CCNE1 DPP4 4550/4885FABP3 4739/4885FABP4 2753/4885

“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.