SCHEMBL3790902

SCHEMBL3790902

CCOc1cccc(OCC)c1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.41
LIPE Q05469 1/20 0.40
DAO P14920 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
CYP2A6 P11509 1/20 0.40
GRK6 P43250 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL29957026 0.87 L3MBTL1 (0.50) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL954824 0.87 L3MBTL1 (0.50) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL453311 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1GLAMAPTGAA
SCHEMBL3785252 0.83 MCHR1 (0.44) ALDH1A1MAPTGAALIPEKDM4E
SCHEMBL3789201 0.82 CYP1A2 (0.52) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL15430194 0.80 MEN1 (0.49) MAPTNPSR1MEN1KMT2ACYP1A2
1,2-Diethoxybenzene SCHEMBL28608089 0.79 L3MBTL1 (0.61) ALDH1A1L3MBTL1GLAMAPTNPSR1
SCHEMBL5788099 0.79 PTPN1 (0.46) ALDH1A1MAPTLIPEKDM4EHPGD
SCHEMBL15430193 0.79 LMNA (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL22704 0.78 LIPE (0.63) ALDH1A1L3MBTL1GLAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118390199-A Modified PBT-PET sheath-core composite fiber and preparation method thereof 江苏恒科新材料有限公司 2024-07-26 CN claimed
CN-118390199-A Modified PBT-PET sheath-core composite fiber and preparation method thereof 江苏恒科新材料有限公司 2024-07-26 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885GLA 2514/4885

“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.