SCHEMBL4579974

SCHEMBL4579974

[CH2]/C1=C/CCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL1146146 1.00
SCHEMBL8184207 1.00 KDM1A (0.34) KDM1AALDH1A1HDAC4HDAC2HDAC8
SCHEMBL789929 1.00
SCHEMBL23532635 1.00 KDM1A (0.34) KDM1AALDH1A1HDAC4HDAC2HDAC8
SCHEMBL4577624 1.00 KDM1A (0.34) KDM1AALDH1A1HDAC4HDAC2HDAC8
SCHEMBL23532670 1.00
SCHEMBL3958 0.97
SCHEMBL2808 0.88
Ethylene SCHEMBL28695708 0.71 TYMP (0.38) KDM1AALDH1A1HDAC4HDAC2HDAC8
SCHEMBL3233355 0.69 TYMP (0.41) KDM1AALDH1A1HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US claimed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP claimed
US-20230064214-A1 TREATMENT AND PROGNOSIS OF PANCREATIC CANCER CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-03-02 US disclosed
CN-115003334-A Treatment and prognosis of pancreatic cancer 剑桥企业有限公司 2022-09-02 CN disclosed
WO-2021123813-A1 TREATMENT AND PROGNOSIS OF PANCREATIC CANCER CAMBRIDGE ENTERPRISE LIMITED (GB) 2021-06-24 WO disclosed
US-7452908-B2 Amide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-11-18 US disclosed
US-6809108-B1 SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040204369-A1 Novel amide derivatives MSD K.K. (JP) 2004-10-14 US disclosed
EP-1213281-B1 NOVEL AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 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 (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-20040204369-A1 Novel amide derivatives CHRM3, CHRM1, CHRM2 KDM1A 717/4885ALDH1A1 1744/4885HDAC4 2830/4885
US-20230064214-A1 TREATMENT AND PROGNOSIS OF PANCREATIC CANCER PDCD1, CCR1, CD274 KDM1A 3297/4885ALDH1A1 1292/4885HDAC4 1756/4885

“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.