SCHEMBL7101207

SCHEMBL7101207

CCCc1cc(=O)oc2c(C(=O)CC)c(OCCN3CCOCC3)c3c(c12)OC(C)(C)CC3

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL7098427 0.88 MEN1 (0.46) KMT2AMEN1ALDH1A1POLB
SCHEMBL7123940 0.76 MEN1 (0.44) KMT2AMEN1ALDH1A1POLB
SCHEMBL7102400 0.69 CA12 (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7149800 0.68 MEN1 (0.42) KMT2AMEN1ALDH1A1POLB
SCHEMBL6630982 0.67 MEN1 (0.44) KMT2AMEN1ALDH1A1POLB
7,8-Dihydrocalanolide B SCHEMBL29623986 0.65 APAF1 (0.66) KMT2AMEN1ALDH1A1POLB
7,8-Dihydrocalanolide B SCHEMBL29517130 0.65 APAF1 (0.66) KMT2AMEN1ALDH1A1POLB
SCHEMBL31454911 0.64 ALDH1A1 (0.54) KMT2AGAAKDM4EALDH1A1CYP1A2
SCHEMBL17211707 0.64 MEN1 (0.71) KMT2AMEN1POLB
SCHEMBL17211759 0.64 MEN1 (0.73) KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KMT2A 4419/4885MEN1 4150/4885GAA 956/4885

“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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