SCHEMBL24756492

SCHEMBL24756492

CCCCCCCCCCCC1NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C2CCCN2C(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CC(Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.49
▸ HDAC4 P56524 4/20 0.47
▸ PLG P00747 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ ALB P02768 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ ELANE P08246 3/20 0.44
▸ OXTR P30559 1/20 0.44
▸ EHD1 Q9H4M9 4/20 0.43
▸ CIB1 Q99828 1/20 0.43
▸ NTSR1 P30989 1/20 0.43

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
SCHEMBL29773725 0.95 KRAS (0.49) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29414461 0.95 KRAS (0.49) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29886188 0.95 KRAS (0.49) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29773694 0.95 KRAS (0.49) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29773723 0.95 KRAS (0.49) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL31612918 0.94 KRAS (0.51) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29884632 0.94 KRAS (0.51) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL16576429 0.94 HDAC4 (0.53) HDAC4PLGHDAC1HDAC3HDAC7
SCHEMBL19214159 0.93 KRAS (0.48) KRASHDAC4PLGHDAC1HDAC3
SCHEMBL29390178 0.93 PLG (0.51) KRASHDAC4PLGHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403439-A1 Compositions for Replacing Chemical Surfactants LOCUS OIL IP COMPANY, LLC 2022-12-22 — — 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-20220403439-A1 Compositions for Replacing Chemical Surfactants SGMS1, SGMS2, PHOSPHO1 KRAS 224/4885HDAC4 3500/4885PLG 1025/4885

“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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