SCHEMBL3974081

SCHEMBL3974081

CCCCCCC/C(=C/C(=O)OCC)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ ICMT O60725 2/20 0.50
▸ ALB P02768 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ EPHX1 P07099 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ HDAC8 Q9BY41 7/20 0.45
▸ HDAC3 O15379 6/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44

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
SCHEMBL3974083 1.00 SOAT2 (0.53) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL8410623 0.95 ALDH1A1 (0.47) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL8410625 0.95 ALDH1A1 (0.47) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL19732872 0.89 SOAT2 (0.56) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL19751312 0.89 SOAT2 (0.56) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL30271651 0.89 SOAT2 (0.56) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL21065463 0.85 SOAT2 (0.59) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL21065474 0.85 SOAT2 (0.59) SOAT2SOAT1ICMTALBALDH1A1
SCHEMBL28242834 0.83 MAPT (0.51) ALDH1A1HTTLMNAMAPTTHRB
SCHEMBL334254 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482362-B2 Substituted-4-quinolones THE SECRETARY OF STATE FOR DEFENSE (GB) 2009-01-27 — — US disclosed
US-7371779-B2 Synergistic compositions of N-acylhomoserine lactones and 4-quinolones THE SECRETARY OF STATE FOR DEFENSE SCIENCE AND TECHNOLOGY (GB) 2008-05-13 — — US disclosed
EP-1349550-B1 SUBSTITUTED-4-QUINOLONES FOR THE TREATMENT OF AUTOIMMUNE DISEASES SECR DEFENCE (GB) 2006-06-14 — — EP disclosed
EP-1404315-B1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES UNIV NOTTINGHAM (GB) 2004-11-03 — — EP disclosed
US-20040198978-A1 Synergistic compositions of n-acylhomoserine lactones and 4-quinolones THE SECRETARY OF STATE FOR DEFENCE (GB) 2004-10-07 — — US disclosed
US-20040082579-A1 Immunosuppressant THE SECRETARY OF STATE FOR DEFENCE (GB) 2004-04-29 — — US disclosed
EP-1404315-A1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2004-04-07 — — EP disclosed
EP-1349550-A1 SUBSTITUTED-4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2003-10-08 — — EP disclosed
WO-2003004017-A1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2003-01-16 — — WO disclosed
WO-2002047686-A1 SUBSTITUTED-4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2002-06-20 — — 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 (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-20040082579-A1 Immunosuppressant CCR6, CCR1, CCR8 SOAT2 724/4885SOAT1 369/4885ICMT 1897/4885
US-20040198978-A1 Synergistic compositions of n-acylhomoserine lactones and 4-quinolones CBR3, CBR1, CNR1 SOAT2 392/4885SOAT1 387/4885ICMT 1851/4885

“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.

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