SCHEMBL4579977

SCHEMBL4579977

CC1=CCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
KDM1A O60341 1/20 0.34
CXCR3 P49682 2/20 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
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
PSMB5 P28074 3/20 0.31
MEN1 O00255 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARA Q07869 1/20 0.31
CTSK P43235 1/20 0.31
PSMB1 P20618 1/20 0.30

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
SCHEMBL18917212 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL10719662 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL35657 1.00
SCHEMBL11798503 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL19018484 1.00
SCHEMBL717288 1.00
SCHEMBL4577627 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL7556778 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL2422886 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2
SCHEMBL10719666 1.00 PTPN1 (0.37) PTPN1KDM1ACXCR3HDAC4HDAC2

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 33 patents — showing the first 20. 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
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
US-6489016-B2 ETHYLENE COPOLYMER BLEND MITSUI CHEMICALS, INC. (JP) 2002-12-03 US disclosed
EP-0570188-B2 PTP or blister packaging articles and packaging material therefor MITSUI CHEMICALS INC (JP) 2002-07-10 EP disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
US-5494969-A IMPACT STRENGTH, TRANSPARENCY, HEAT RESISTANCE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-02-27 US disclosed
EP-0671433-A1 Polymer composition and core-shell elastomer used therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-09-13 EP disclosed
EP-0414258-B1 Information recording medium and adhesive composition therefor MITSUI PETROCHEMICAL IND (JP) 1995-06-28 EP disclosed
EP-0649737-A1 Polyolefin multilayer laminate and use thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed
EP-0608903-A1 Cycloolefin polymer composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-08-03 EP disclosed
US-5290877-A Information recording medium and adhesive composition therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
EP-0570188-A2 PTP or blister packaging articles and packaging material therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-11-18 EP disclosed
US-5188875-A Adhering two disk substrates MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-02-23 US disclosed
EP-0414258-A2 Information recording medium and adhesive composition therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-02-27 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 PTPN1 2637/4885KDM1A 717/4885CXCR3 914/4885
US-20230064214-A1 TREATMENT AND PROGNOSIS OF PANCREATIC CANCER PDCD1, CCR1, CD274 PTPN1 1669/4885KDM1A 3297/4885CXCR3 16/4885

“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.