SCHEMBL16682965

SCHEMBL16682965

Cc1cc2c(cc1Br)C(=O)c1cc(Br)c(C)cc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ NQO1 P15559 3/20 0.36
▸ POR P16435 3/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ BCL2 P10415 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL15131710 0.97 BCHE (0.55) BCHECES1POLBL3MBTL1ELANE
SCHEMBL17637911 0.88 ELANE (0.52) BCHECES1POLBL3MBTL1ELANE
SCHEMBL9175638 0.87 ELANE (0.55) BCHECES1POLBL3MBTL1ELANE
SCHEMBL22338139 0.86 S100A4 (0.61) BCHECES1L3MBTL1ELANES100A4
SCHEMBL22338148 0.83 S100A4 (0.57) BCHECES1ELANES100A4BCL2
SCHEMBL10421261 0.81 NQO1 (0.48) BCHECES1L3MBTL1ELANENQO1
SCHEMBL28680807 0.81 S100A4 (0.43) BCHECES1ELANES100A4ALDH1A1
SCHEMBL3420118 0.78 NQO1 (0.50) BCHECES1L3MBTL1ELANENQO1
SCHEMBL23958896 0.76 MAOB (0.38) BCHECES1ALDH1A1MAOB
SCHEMBL9751019 0.75 NQO1 (0.54) BCHECES1POLBELANENQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929347-B2 Polymer compound and light emitting element using same SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2018-03-27 — — US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 — — US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 — — US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 — — US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 — — US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 — — US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 — — 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-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL BCHE 4613/4885CES1 2747/4885POLB 2878/4885
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME NAP1L4, AHR, NR0B1 BCHE 4524/4885CES1 4030/4885POLB 2256/4885

“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.

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