SCHEMBL7115759

SCHEMBL7115759

O=C1Cc2ccc(Cl)cc2Oc2cc(O)cc(O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.45
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 5/20 0.40
CYP3A4 P08684 4/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1B1 Q16678 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C9 P11712 2/20 0.40
CA12 O43570 2/20 0.40
SLCO2B1 O94956 2/20 0.40
CA4 P22748 2/20 0.40
PSMB5 P28074 2/20 0.40
CA7 P43166 2/20 0.40

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
SCHEMBL7110509 0.89 TTR (0.45) TTRPIK3CAMTORPIK3CGMEN1
SCHEMBL14098146 0.86 ALOX5 (0.40) TTRPIK3CAMTORPIK3CGMEN1
SCHEMBL5112851 0.83 PIK3CA (0.41) TTRPIK3CAMTORPIK3CGMEN1
SCHEMBL7112820 0.83 ALDH1A1 (0.40) TTRPIK3CAMTORMEN1KMT2A
SCHEMBL7110722 0.81 CYP19A1 (0.48) TTRPIK3CAMTORPIK3CGMEN1
SCHEMBL14098187 0.81 CYP19A1 (0.45) TTRMEN1KMT2AALDH1A1CYP19A1
SCHEMBL7116053 0.81 ALDH1A1 (0.45) TTRMEN1KMT2AALDH1A1CYP19A1
SCHEMBL14098123 0.80 ALDH1A1 (0.41) TTRMEN1KMT2AALDH1A1CYP19A1
SCHEMBL5112986 0.80 CYP19A1 (0.45) TTRPIK3CAMTORPIK3CGMEN1
SCHEMBL14098190 0.80 CYP19A1 (0.42) TTRMEN1KMT2AALDH1A1CYP19A1

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 TTR 3878/4885PIK3CA 3899/4885MTOR 2901/4885

“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.