SCHEMBL1110101

SCHEMBL1110101

CCN1CCCCCC1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CXCR4 P61073 6/20 0.41
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL772189 0.98
SCHEMBL12942171 0.98
SCHEMBL12942167 0.98
Iodide SCHEMBL27450793 0.95 ALDH1A1 (0.46) ALDH1A1KDM4EHRH3CXCR4SIGMAR1
SCHEMBL27928007 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHRH3CXCR4SIGMAR1
Cyanide SCHEMBL30330595 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EHRH3CXCR4SIGMAR1
SCHEMBL172898 0.90
SCHEMBL407643 0.90
SCHEMBL7897923 0.90
SCHEMBL11877972 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHRH3CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2024063100-A1 METHOD FOR PRODUCING POLYVALENT CARBODIIMIDE B 旭化成株式会社 2024-03-28 WO disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2018023081-A1 6-PHENYLPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AS ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2018-02-01 WO disclosed
US-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 US disclosed
WO-2015090233-A1 AROMATIC HETEROCYCLIC COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 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 (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-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HAVCR2, CD4 ALDH1A1 322/4885KDM4E 4256/4885HRH3 1742/4885

“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.