SCHEMBL19214159

SCHEMBL19214159

CCCCCCCCCCCC1CC(=O)NC(CC(C)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.48
▸ PLG P00747 1/20 0.46
▸ HDAC4 P56524 3/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ EHD1 Q9H4M9 4/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ OXTR P30559 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ NTSR1 P30989 4/20 0.42
▸ ALB P02768 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ ELANE P08246 1/20 0.42

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
SCHEMBL29886188 0.97 KRAS (0.49) KRASPLGHDAC4GRB2EHD1
SCHEMBL29414461 0.97 KRAS (0.49) KRASPLGHDAC4GRB2EHD1
SCHEMBL29773723 0.97 KRAS (0.49) KRASPLGHDAC4GRB2EHD1
SCHEMBL29773694 0.97 KRAS (0.49) KRASPLGHDAC4GRB2EHD1
SCHEMBL29773725 0.97 KRAS (0.49) KRASPLGHDAC4GRB2EHD1
SCHEMBL29884632 0.95 KRAS (0.51) KRASPLGHDAC4GRB2EHD1
SCHEMBL31612918 0.95 KRAS (0.51) KRASPLGHDAC4GRB2EHD1
SCHEMBL29390178 0.95 PLG (0.51) KRASPLGHDAC4EHD1HDAC3
SCHEMBL24756492 0.93 KRAS (0.49) KRASPLGHDAC4EHD1HDAC3
SCHEMBL16576429 0.91 HDAC4 (0.53) PLGHDAC4EHD1HDAC3HDAC1

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-20170226598-A1 A BACILLUS METHYLOTROPHICUS STRAIN AND METHOD OF USING THE STRAIN TO INCREASE DROUGHT RESISTANCE IN A PLANT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-08-10 — — 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-20170226598-A1 A BACILLUS METHYLOTROPHICUS STRAIN AND METHOD OF USING THE STRAIN TO INCREASE DROUGHT RESISTANCE IN A PLANT AMD1, AHCY, ALAD KRAS 2054/4885PLG 2826/4885HDAC4 4628/4885

“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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