SCHEMBL5120987

SCHEMBL5120987

COc1ccc(-n2c(S)nc3cc(OC)cc(OC)c3c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 4/20 0.41
USP2 O75604 3/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5117114 0.86 HRH3 (0.50) PDE3BPDE3AALDH1A1CYP3A4USP2
SCHEMBL14176442 0.85 PDE3B (0.45) PDE3BPDE3AALDH1A1MAPTLMNA
SCHEMBL5127283 0.82 LMNA (0.61) PDE3BPDE3AALDH1A1CYP3A4CYP2C9
SCHEMBL14176444 0.82 ESR1 (0.52) PDE3BPDE3AALDH1A1CYP3A4CYP2C9
SCHEMBL14176447 0.82 ESR1 (0.52) PDE3BPDE3AALDH1A1CYP3A4USP2
SCHEMBL5117316 0.81 ESR2 (0.59) MEN1KMT2APDE10A
SCHEMBL14176446 0.81 MEN1 (0.63) ALDH1A1CYP3A4USP2CYP2C9CYP1A2
SCHEMBL14176449 0.80 DRD1 (0.54) PDE3BPDE3AALDH1A1CYP3A4CYP2C9
SCHEMBL14176448 0.79 ESR1 (0.55) ALDH1A1CYP3A4USP2CYP2C9CYP1A2
SCHEMBL1664018 0.75 ESR1 (0.49) PDE3BPDE3ACYP3A4USP2CYP1A2

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.