SCHEMBL17035155

SCHEMBL17035155

Nc1ccccc1-c1cccc2c(Br)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HKDC1 Q2TB90 1/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ADORA2A P29274 2/20 0.39
BACE1 P56817 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK1 P28482 1/20 0.38
PRNP P04156 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL17035111 0.91 ALDH1A1 (0.56) ALDH1A1L3MBTL1HKDC1HSD17B10CYP3A4
SCHEMBL16623899 0.86 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD
SCHEMBL29306847 0.83 PARP1 (0.48) ALDH1A1HKDC1BACE1PARP1MAPK1
SCHEMBL10711667 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD
SCHEMBL29813552 0.81 ALDH1A1 (0.68) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL150437 0.81 ALDH1A1 (0.68) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL28868145 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29521589 0.77 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD
SCHEMBL56035 0.77 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD
SCHEMBL4922363 0.76 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALDH1A1 753/4885L3MBTL1 1123/4885HKDC1 3831/4885
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A1 85/4885L3MBTL1 1607/4885HKDC1 4130/4885

“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.