SCHEMBL5118966

SCHEMBL5118966

COc1ccc2c(c1)c(-c1ccc(COC(=O)CCC(=O)O)o1)nn2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.61
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL5118969 0.93 PDE5A (0.71) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5110534 0.87 PDE5A (0.67) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL16267521 0.84 PDE5A (0.71) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5104788 0.84 PDE5A (0.72) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5107975 0.83 PDE5A (0.85) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5138807 0.82 PDE5A (0.70) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5107243 0.82 PDE5A (0.53) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL3081769 0.82 PDE5A (0.76) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5140293 0.82 PDE5A (0.60) PDE5AALDH1A1LMNAKDM4ENPC1
SCHEMBL5111298 0.81 PDE5A (0.50) PDE5AALDH1A1LMNAKDM4ENPC1

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 1869/4885LMNA 4140/4885

“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.