SCHEMBL6629990

SCHEMBL6629990

CCCc1cc(=O)oc2c(C(N)CC)c(OC(C)C)cc(OC(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 7/20 0.39
▸ HIF1A Q16665 4/20 0.39
▸ EPAS1 Q99814 4/20 0.39
▸ KDM4E B2RXH2 10/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HCAR2 Q8TDS4 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ FFAR3 O14843 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL6629994 0.78 ALDH1A1 (0.41) NPSR1HIF1AEPAS1KDM4EMAPT
SCHEMBL8690517 0.73 HIF1A (0.39) HIF1AEPAS1KDM4EALDH1A1HPGD
SCHEMBL8692679 0.73 HIF1A (0.39) HIF1AEPAS1KDM4EALDH1A1HPGD
SCHEMBL8690519 0.73 HIF1A (0.39) HIF1AEPAS1KDM4EALDH1A1HPGD
SCHEMBL8689317 0.69 ALDH1A1 (0.55) NPSR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL8689922 0.69 ALDH1A1 (0.55) NPSR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL8692709 0.69 ALDH1A1 (0.55) NPSR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL7102356 0.69 ALDH1A1 (0.55) NPSR1HIF1AEPAS1KDM4EALDH1A1
SCHEMBL8689176 0.68 HIF1A (0.35) HIF1AEPAS1KDM4EALDH1A1HPGD
SCHEMBL6690572 0.68 CA12 (0.53) NPSR1KDM4EMAPTALDH1A1HSD17B10

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 NPSR1 4787/4885HIF1A 3504/4885EPAS1 2937/4885

“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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