SCHEMBL3316731

SCHEMBL3316731

CC(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 3/20 0.41
FEN1 P39748 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.39
PTK2B Q14289 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL28477651 0.87 ALDH1A1 (0.46) ALDH1A1LMNAPOLBFEN1KMT2A
SCHEMBL5703139 0.87 ALDH1A1 (0.58) ALDH1A1LMNAPOLBFEN1KMT2A
SCHEMBL8638289 0.81 ALDH1A1 (0.52) ALDH1A1LMNAPOLBFEN1KMT2A
Aspartic Acid SCHEMBL7450475 0.81 GRIK1 (0.40) ALDH1A1LMNAPOLBMAPTTDP1
Aspartic Acid SCHEMBL7450478 0.81 GRIK1 (0.40) ALDH1A1LMNAPOLBMAPTTDP1
SCHEMBL517538 0.78 CA12 (0.61) ALDH1A1LMNAPOLBFEN1KMT2A
SCHEMBL6518565 0.78 CES2 (0.54) ALDH1A1POLBKMT2AMAPTNPC1
SCHEMBL5406463 0.77 ALDH1A1 (0.43) ALDH1A1LMNAPOLBHPGDL3MBTL1
SCHEMBL5703150 0.76 LMNA (0.48) ALDH1A1LMNAPOLBFEN1KMT2A
SCHEMBL8638288 0.76 ALDH1A1 (0.47) ALDH1A1LMNAPOLBFEN1KMT2A

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 4 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
WO-2006033551-A1 CASPASE INHIBITORS CONTAINING DICARBONYLAMINO-ISOXAZOLINE LG LIFE SCIENCES LTD. (KR) 2006-03-30 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-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 2945/4885LMNA 803/4885POLB 2435/4885
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 1048/4885LMNA 102/4885POLB 1963/4885

“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.