SCHEMBL5121850

SCHEMBL5121850

COc1cc(OC)c2c(=O)ocnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ELANE P08246 2/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5127361 0.73 ELANE (0.61) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL29609262 0.71 PDE3B (0.50) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL615784 0.71 PDE3B (0.50) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL5124112 0.70 ELANE (0.50) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL5121567 0.70 ELANE (0.49) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL17190724 0.69 LMNA (0.48) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL5127383 0.68 ELANE (0.48) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL24393041 0.68 SRC (0.50) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL5117205 0.67 ELANE (0.47) PDE3BPDE3AALDH1A1KDM4EHSD17B10
SCHEMBL3429136 0.67 SRC (0.49) PDE3BPDE3AALDH1A1KDM4EHSD17B10

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
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 — — US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 — — US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 — — US disclosed
US-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 — — 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-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators ESR2, ESRRA, ESRRG PDE3B 1751/4885PDE3A 1944/4885ALDH1A1 3264/4885

“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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