SCHEMBL17577282

SCHEMBL17577282

COc1cc(Cl)ccc1C#Cc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
EGFR P00533 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC9A1 P19634 1/20 0.41
MAT2A P31153 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
MAP4K4 O95819 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL17404396 0.80 FFAR1 (0.45) PTGDR2MAT2AAURKAAURKBKDM4E
SCHEMBL18607690 0.79 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4EMAP4K4HPGD
SCHEMBL21698619 0.79 CYP1A2 (0.41) PTGDR2MAT2AAURKAAURKBSQOR
SCHEMBL3759371 0.79 PTGDR2 (0.57) PTGDR2MAOAMAOBSLC9A1AURKA
SCHEMBL11312840 0.79 CYP1A1 (0.50) PTGDR2SLC9A1MAT2AAURKAAURKB
SCHEMBL29634149 0.79 PTGDR2 (0.57) PTGDR2MAOAMAOBSLC9A1AURKA
SCHEMBL17410870 0.77 SLC6A4 (0.54) PTGDR2EGFRALDH1A1KDM4ENPSR1
SCHEMBL20788054 0.76 MAPK1 (0.38) PTGDR2ALDH1A1KDM4ENPSR1MAP4K4
SCHEMBL21959340 0.75 MAPK1 (0.41) PTGDR2ALDH1A1KDM4ENPSR1MAP4K4
SCHEMBL17577295 0.75 SMN1; SMN2 (0.39) PTGDR2MAT2AAURKAAURKBSQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 US disclosed
US-9856243-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-02 US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 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 (2 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-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNL2, CCNT1 PTGDR2 766/4885EGFR 3737/4885MAOA 2671/4885
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, MCM4 PTGDR2 2261/4885EGFR 3834/4885MAOA 2018/4885

“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.