SCHEMBL7112263

SCHEMBL7112263

Oc1cc(O)c2c(c1)Oc1ccc(Cl)cc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PTGS2 P35354 3/20 0.36
MAPKAPK2 P49137 2/20 0.35
HTT P42858 2/20 0.34
CYP3A4 P08684 4/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
SLC22A1 O15245 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7112963 0.88 AHR (0.39) AHRMEN1KMT2APTGS2MAPKAPK2
SCHEMBL7116087 0.82 SMN1; SMN2 (0.42) MEN1KMT2APTGS2MAPKAPK2CYP3A4
SCHEMBL5107101 0.82 AHR (0.39) AHRMEN1KMT2APTGS2MAPKAPK2
SCHEMBL7111884 0.82 MAPKAPK2 (0.35) MEN1KMT2APTGS2MAPKAPK2CYP3A4
SCHEMBL5106538 0.80 MAOA (0.42) MEN1KMT2APTGS2MAPKAPK2CYP3A4
SCHEMBL7114536 0.79 PTGER4 (0.35) MEN1KMT2APTGS2MAPKAPK2CYP3A4
SCHEMBL7110411 0.79 AHR (0.45) AHRMEN1KMT2APTGS2MAPKAPK2
SCHEMBL14098211 0.78 ALOX5 (0.38) MEN1KMT2APTGS2HTTMAPT
SCHEMBL14098102 0.78 MAPKAPK2 (0.36) MEN1KMT2APTGS2MAPKAPK2HTT
SCHEMBL14138738 0.78 MAPKAPK2 (0.44) PTGS2MAPKAPK2

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
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
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 EP 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 AHR 1713/4885MEN1 4726/4885KMT2A 918/4885

“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.