SCHEMBL4131106

SCHEMBL4131106

CC(C)CC1(C)C(=O)C=C(O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ SLC25A5 P05141 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL4000062 0.85 DHODH (0.39) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4988260 0.85 DHODH (0.39) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4991319 0.85 DHODH (0.39) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4988287 0.80 PGR (0.38) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4000087 0.79 ALDH1A1 (0.34) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL3999190 0.78 PGR (0.38) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4988294 0.78 ALDH1A1 (0.35) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL3995876 0.77 ALDH1A1 (0.34) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL3999616 0.77 ALDH1A1 (0.34) ALDH1A1MAPTCYP3A4KDM4EHPGD
SCHEMBL4004336 0.77 ALDH1A1 (0.34) ALDH1A1MAPTCYP3A4KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 — — WO disclosed
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 — — WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — US disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 — — 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-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A ALDH1A1 1531/4885MAPT 4141/4885CYP3A4 2214/4885

“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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