SCHEMBL4551477

SCHEMBL4551477

CC(C)C(NC(=O)c1ccc2c3ccc(C(N)=O)c4c(C(N)=O)ccc(c5ccc(C(=O)NC(C(C)C)C(C)C)c1c25)c43)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.43
▸ TAS1R3 Q7RTX0 3/20 0.42
▸ TAS1R1 Q7RTX1 3/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ HPGD P15428 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL9838361 0.80 PLK1 (0.41) GLAALDH1A1KDM4EKMT2AATM
SCHEMBL175754 0.78 CYP1A2 (0.43) GLAHPGDPARP1ALDH1A1KDM4E
SCHEMBL8654771 0.74 KMT2A (0.51) KMT2AMEN1
SCHEMBL823146 0.73 CYP1A2 (0.48) HPGDALOX5ALDH1A1KDM4EKMT2A
SCHEMBL8975870 0.72 TAS1R3 (0.38) TAS1R3TAS1R1ALOX5KMT2AMEN1
SCHEMBL9869468 0.71 CYP1A2 (0.61) GLAHPGDPARP1ALDH1A1KDM4E
SCHEMBL28479069 0.71 CYP1A2 (0.61) GLAHPGDPARP1ALDH1A1KDM4E
SCHEMBL29250333 0.71 CYP1A2 (0.61) GLAHPGDPARP1ALDH1A1KDM4E
SCHEMBL28479066 0.71 CYP1A2 (0.61) GLAHPGDPARP1ALDH1A1KDM4E
SCHEMBL29613838 0.71 CYP1A2 (0.61) GLAHPGDPARP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090078312-A1 VERFAHREN ZUR HERSTELLUNG VON MIT RYLENTETRACARBONSAEUREDIIMIDEN BESCHICHTETEN SUBSTRATEN BASF SE (DE) 2009-03-26 — — US claimed
US-20090078312-A1 VERFAHREN ZUR HERSTELLUNG VON MIT RYLENTETRACARBONSAEUREDIIMIDEN BESCHICHTETEN SUBSTRATEN BASF SE (DE) 2009-03-26 — — 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-20090078312-A1 VERFAHREN ZUR HERSTELLUNG VON MIT RYLENTETRACARBONSAEUREDIIMIDEN BESCHICHTETEN SUBSTRATEN AXIN2, NCSTN, NES GLA 3386/4885TAS1R3 4480/4885TAS1R1 4582/4885

“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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