SCHEMBL6556557

SCHEMBL6556557

Cc1cc(NCCc2cc(C#N)ccc2O)ccc1C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.42
ACACB O00763 1/20 0.41
HPGD P15428 2/20 0.38
FASN P49327 4/20 0.38
F10 P00742 1/20 0.37
JAK2 O60674 7/20 0.37
JAK1 P23458 6/20 0.37
CCKBR P32239 1/20 0.36
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL6556522 0.88 ACACB (0.42) CDK1ACACBHPGDFASNSLC6A9
SCHEMBL7533942 0.84 ANO1 (0.50) ACACBHPGDFASNF10JAK2
SCHEMBL7566297 0.82 F10 (0.48) HPGDF10ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL7565526 0.82 F10 (0.47) HPGDF10ALDH1A1LMNAHTT
SCHEMBL6554507 0.79 ACACB (0.46) CDK1ACACBHPGDFASNCCKBR
SCHEMBL6556808 0.78 ACACB (0.53) ACACBHPGDFASNCCKBRSLC6A9
SCHEMBL6571797 0.76 ALDH1A1 (0.53) ACACBHPGDFASNF10JAK2
SCHEMBL5885759 0.75 ACACB (0.48) CDK1ACACBHPGDFASNCCKBR
SCHEMBL5091241 0.74 ALDH1A1 (0.45) ACACBALDH1A1LMNA
SCHEMBL5885749 0.73 ACACB (0.48) ACACBCCKBRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO 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 (1 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 CDK1 1663/4885ACACB 2861/4885HPGD 569/4885

“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.