SCHEMBL5111298

SCHEMBL5111298

Cc1cc2c(o1)c(-c1ccc(COC(=O)CCC(=O)O)o1)nn2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.50
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
GFER P55789 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5104788 0.85 PDE5A (0.72) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5110534 0.84 PDE5A (0.67) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5118966 0.81 PDE5A (0.61) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5118969 0.81 PDE5A (0.71) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5105738 0.81 PDE5A (0.68) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5138807 0.81 PDE5A (0.70) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5103308 0.81 PDE5A (0.48) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL16267521 0.81 PDE5A (0.71) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5140293 0.79 PDE5A (0.60) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13199041 0.76 PDE5A (0.67) PDE5AALDH1A1HPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US claimed
EP-1586572-A1 Fused pyrazolyls as anti-cancer drugs Yung Shin Pharm. Ind. Co. Ltd. (TW) 2005-10-19 EP claimed
US-20050215612-A1 Novel fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2005-09-29 US claimed
US-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
EP-1586572-A1 Fused pyrazolyls as anti-cancer drugs Yung Shin Pharm. Ind. Co. Ltd. (TW) 2005-10-19 EP disclosed
US-20050215612-A1 Novel fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2005-09-29 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-20050215612-A1 Novel fused pyrazolyl compound AR, ARL1, NR5A2 PDE5A 2742/4885ALDH1A1 1869/4885HPGD 3361/4885

“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.