SCHEMBL6630982

SCHEMBL6630982

CCCc1cc(=O)oc2c(C(O)CC)c(O)c3c(c12)OC(C)(C)CC3

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ EPAS1 Q99814 2/20 0.38
▸ PDE4D Q08499 1/20 0.36
▸ TSSK1B Q9BXA7 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL7097929 0.88 MEN1 (0.44) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL7102777 0.85 MEN1 (0.43) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL7149800 0.83 MEN1 (0.42) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL6631891 0.81 MEN1 (0.46) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL6630986 0.80 MEN1 (0.47) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL6628817 0.78 ALDH1A1 (0.58) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL13261902 0.76 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL13261759 0.74 TSSK1B (0.48) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL7103060 0.73 POLB (0.46) MEN1KMT2APOLBALDH1A1APAF1
SCHEMBL7099367 0.73 MEN1 (0.46) MEN1KMT2APOLBALDH1A1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379529-A2 PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY Sarawak Medichem Pharmaceuticals, Inc. (US) 2004-01-14 — — EP disclosed
US-6670383-B2 Such as 5-(2-hydroxy-ethoxy)-2,2-dimethyl-6-propionyl-10-propyl-2H-pyrano(2,3 -f)chromen-8-one for treatment of Mycobacterium infection, AIDS, and tuburculosis ADVANCED LIFE SCIENCES, INC. 2003-12-30 — — US disclosed
US-20030083369-A1 Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity THE LEADERS BANK 2003-05-01 — — US disclosed
WO-2002074777-A2 PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2002-09-26 — — 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-20030083369-A1 Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity BBOX1, CYP51A1, HADHB MEN1 4150/4885KMT2A 4419/4885POLB 1031/4885

“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.

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