Sugi Predict

Sugi Predict / Compounds / SCHEMBL13398474

SCHEMBL13398474

SCHEMBL13398474

COC(=O)/C(=C\c1ccc2cc(-c3c(OC)cccc3OC)ccc2c1)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ APP P05067 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ CYP3A4 P08684 2/20 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
SCHEMBL3317813 0.91 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B1HSD17B2APP
SCHEMBL3317810 0.91 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B1HSD17B2APP
SCHEMBL14339176 0.82 HSD17B1 (0.37) ALDH1A1MAPTHSD17B1HSD17B2APP
SCHEMBL29092110 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL6141767 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL10464264 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL10465344 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8430294 0.74 MEN1 (0.47) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL8430296 0.74 MEN1 (0.47) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL9135884 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDLMNA

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
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — 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 (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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H ALDH1A1 2945/4885MAPT 2328/4885KDM4E 2440/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B ALDH1A1 1048/4885MAPT 3189/4885KDM4E 1665/4885

“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.