SCHEMBL16604201

SCHEMBL16604201

Brc1ccc(-c2ccc3ccc4c(-c5ccccc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.52
NR1H4 Q96RI1 1/20 0.41
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.39
DGAT1 O75907 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
AGTR1 P30556 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
SCHEMBL24282337 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1NR1H4ACHENPC1
SCHEMBL4821142 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1ACHETDP1MAOB
SCHEMBL2207895 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1ACHERAB9ATDP1
SCHEMBL3809322 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1ACHERAB9ATDP1
SCHEMBL2293036 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1ACHERAB9ANFKB1
SCHEMBL2292638 0.85 ALDH1A1 (0.43) ALDH1A1MAPK1ACHERAB9ANFKB1
SCHEMBL17940742 0.84 HDAC8 (0.45) ALDH1A1ACHECYP1A1CYP1B1CYP1A2
SCHEMBL22255975 0.84 HSD17B1 (0.42) ALDH1A1MAPK1ACHESMN1; SMN2MAOB
SCHEMBL13682550 0.84 MAOB (0.42) ALDH1A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL13950667 0.83 ALDH1A1 (0.67) ALDH1A1MAPK1NR1H4ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10312451-B2 Compound for organic electroluminescent device LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-06-04 US disclosed
US-9680106-B2 Pyrene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-13 US disclosed
US-9680106-B2 Pyrene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-13 US disclosed
CN-106748621-A Organic compound and organic electroluminescent element using the same 机光科技股份有限公司 2017-05-31 CN disclosed
US-20160218293-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-07-28 US disclosed
US-20160218293-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-07-28 US disclosed
US-20160218293-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-07-28 US disclosed
US-20150090967-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 US disclosed
US-20150090967-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 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-10312451-B2 Compound for organic electroluminescent device ORAI2, TRPC6, ICMT ALDH1A1 769/4885MAPK1 2446/4885NR1H4 3365/4885
US-20160218293-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE ORAI2, TRPC6, ICMT ALDH1A1 769/4885MAPK1 2446/4885NR1H4 3365/4885

“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.