SCHEMBL17404397

SCHEMBL17404397

CC1(C)c2cc(Cl)ccc2-c2cc3ccc(Cl)cc3c3cccc1c23

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 2/20 0.38
AKR1B1 P15121 2/20 0.38
PDK2 Q15119 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CRHR1 P34998 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PGR P06401 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL17069910 0.78 PDK2 (0.41) AKR1A1AKR1B1PDK2ALDH1A1CASP1
SCHEMBL17404398 0.76 CRHR1 (0.32) AKR1A1AKR1B1PDK2CRHR1CYP11B1
SCHEMBL806787 0.76 AHR (0.34) PGR
SCHEMBL17404076 0.76 ALDH1A1 (0.34) PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17404400 0.75 AKR1A1 (0.31) AKR1A1AKR1B1PDK2CYP11B1CYP11B2
SCHEMBL1922755 0.74 PDK2 (0.52) AKR1A1AKR1B1PDK2ALDH1A1TSHR
SCHEMBL25660758 0.74 PDK2 (0.40) AKR1A1AKR1B1PDK2ALDH1A1HPGD
SCHEMBL17404402 0.74 DPP4 (0.37) AKR1A1AKR1B1PDK2ALDH1A1HPGD
SCHEMBL17404021 0.74 ALDH1A1 (0.41) PDK2ALDH1A1HPGDTSHRMAPK1
SCHEMBL17404015 0.74 ALDH1A1 (0.35) PDK2ALDH1A1HPGDTSHRMAPK1

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 AKR1A1 1387/4885AKR1B1 1604/4885PDK2 2437/4885

“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.