SCHEMBL7048701

SCHEMBL7048701

N#CC(C#N)=C1CC(=O)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
BCL2 P10415 2/20 0.39
MCL1 Q07820 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PTPRC P08575 1/20 0.36
METAP1 P53582 1/20 0.36
TDP2 O95551 1/20 0.35
EGFR P00533 4/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PBRM1 Q86U86 1/20 0.33
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PARP10 Q53GL7 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL31108093 1.00 S100A4 (0.40) S100A4BCL2MCL1CA1CA2
SCHEMBL31023251 0.94 S100A4 (0.40) S100A4BCL2MCL1CA1CA2
SCHEMBL20819745 0.94 S100A4 (0.40) S100A4BCL2MCL1CA1CA2
SCHEMBL7046864 0.86 EGFR (0.38) S100A4BCL2MCL1CA1CA2
SCHEMBL7044981 0.85 EGFR (0.47) CA1CA2CA7CA9EGFR
SCHEMBL23515574 0.81 EGFR (0.39) MCL1EGFR
SCHEMBL7048653 0.81 KDM4E (0.41) CA1CA2CA4CA7CA9
SCHEMBL7049277 0.81 S100A4 (0.40) S100A4METAP1EGFRPARP10TDP1
SCHEMBL7043705 0.81 CA1 (0.39) CA1CA2CA7CA9EGFR
SCHEMBL30853835 0.81 CA1 (0.39) CA1CA2CA7CA9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
CN-115057995-B Polymer material based on D-pi-IC, and preparation method and application thereof 苏州大学 2023-11-28 CN disclosed
US-20230287001-A1 Organic Semiconducting Compounds RAYNERGY TEK INC (TW) 2023-09-14 US disclosed
US-20230287001-A1 Organic Semiconducting Compounds RAYNERGY TEK INC (TW) 2023-09-14 US disclosed
CN-115057995-A D-pi-IC type-based polymer material and preparation method and application thereof 苏州大学 2022-09-16 CN disclosed
US-20210280791-A1 ORGANIC SEMICONDUCTING POLYMERS RAYNERGY TEK INC (TW) 2021-09-09 US disclosed
WO-2021118238-A1 NOVEL POLYMER AND ORGANIC ELECTRONIC DEVICE USING SAME 경상국립대학교산학협력단 2021-06-17 WO disclosed
US-20200361955-A1 ORGANIC SEMICONDUCTING COMPOUNDS Raynergy Tek Incorporation (TW) 2020-11-19 US disclosed
EP-3681889-A1 ORGANIC SEMICONDUCTING COMPOUNDS Merck Patent GmbH (DE) 2020-07-22 EP disclosed
CN-111094298-A Organic semiconductor compound 默克专利股份有限公司 2020-05-01 CN disclosed
WO-2019052935-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed
WO-2019052935-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP 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 (3 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-20200361955-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, OSTC S100A4 1967/4885BCL2 2466/4885MCL1 2121/4885
US-20230287001-A1 Organic Semiconducting Compounds OCIAD2, OCIAD1, OSTC S100A4 1967/4885BCL2 2466/4885MCL1 2121/4885
US-20210280791-A1 ORGANIC SEMICONDUCTING POLYMERS OCIAD2, OCIAD1, OSTC S100A4 2909/4885BCL2 4247/4885MCL1 3979/4885

“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.