SCHEMBL7112749

SCHEMBL7112749

O=C1Cc2cc(Cl)ccc2Oc2cc(O)c(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
AHR P35869 3/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
METAP1 P53582 1/20 0.36
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CXCL12 P48061 2/20 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
SCHEMBL7117559 0.88 AR (0.39) ARAHRHPGDL3MBTL1CA2
SCHEMBL11577256 0.86 HPGD (0.45) ARAHRHPGDL3MBTL1NOTUM
SCHEMBL7110714 0.82 ALOX15 (0.39) HPGDMAOAMAOBMETAP1LDHA
SCHEMBL7112746 0.82 NOTUM (0.36) L3MBTL1NOTUMMAOBLDHALDHB
SCHEMBL7112833 0.80 MAOA (0.50) HPGDCA2CA1NOTUMMAOA
SCHEMBL11577383 0.79 HRH4 (0.46) ARAHRHPGDL3MBTL1CA2
SCHEMBL7112415 0.79 TDP2 (0.40) MAOAMAOB
SCHEMBL7116108 0.79 ALDH1A1 (0.40) HPGDL3MBTL1CA2LDHALDHB
SCHEMBL7115732 0.79 MAPT (0.40) HPGDCA2CA12CA9CXCL12
SCHEMBL11564826 0.79 MAPK1 (0.47) AHRHPGDL3MBTL1MAOAMAOB

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 AR 1300/4885AHR 1713/4885HPGD 1148/4885

“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.