SCHEMBL7110541

SCHEMBL7110541

COc1cccc(OCC(=O)c2ccccc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 4/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 3/20 0.51
RAB9A P51151 2/20 0.50
ROCK2 O75116 1/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
ROCK1 Q13464 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL29620411 0.90 L3MBTL1 (0.58) L3MBTL1TDP1LMNAHTTMAPK1
SCHEMBL9787268 0.87 POLB (0.71) L3MBTL1TDP1LMNAHTTMAPK1
SCHEMBL29620410 0.87 POLB (0.71) L3MBTL1TDP1LMNAHTTMAPK1
SCHEMBL31552456 0.83 SMN1; SMN2 (0.71) L3MBTL1TDP1LMNAPOLBSMN1; SMN2
SCHEMBL29115776 0.81 SMN1; SMN2 (0.58) L3MBTL1TDP1LMNAHTTMAPK1
SCHEMBL9787048 0.81 L3MBTL1 (0.73) L3MBTL1TDP1LMNAHTTMAPK1
SCHEMBL2301959 0.80 KMT2A (0.64) L3MBTL1HTTPOLBNPC1MEN1
SCHEMBL9270069 0.79 POLB (0.50) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL5770727 0.78 L3MBTL1 (0.60) L3MBTL1TDP1LMNAMAPK1POLB
SCHEMBL10260277 0.78 ROCK2 (0.73) L3MBTL1TDP1LMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
EP-0805155-B1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA LTD (JP) 2002-03-13 EP disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 EP disclosed
US-5734067-A THERAPY FOR CANCER, ARTHEROSCLEROSIS OR LIVER DISEASES NIPPON SUISAN KAISHA, LTD. (JP) 1998-03-31 US disclosed
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 EP disclosed
WO-1996033247-A1 RADIATION-CURED ADHESIVE FILM HAVING DIFFERENTIAL SURFACE ADHESION ADHESIVES RESEARCH, INC. (US) 1996-10-24 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B L3MBTL1 2803/4885TDP1 3302/4885LMNA 1131/4885

“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.