SCHEMBL14944841

SCHEMBL14944841

Cc1cnc(C)c(O)c1C(O)C(C)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PDXK O00764 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL14948150 0.72 — —
SCHEMBL13971705 0.72 KDM4E (0.35) KDM4EPDXKALDH1A1HPGDMEN1
SCHEMBL5666549 0.68 PNPO (0.38) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL11013377 0.66 PDXK (0.44) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL9656230 0.65 KDM4E (0.45) KDM4ECYP1A2CYP2D6HIF1APDXK
SCHEMBL11013147 0.63 PDXK (0.41) KDM4EPDXKALDH1A1HPGDHSD17B10
SCHEMBL27858957 0.63 KDM4E (0.59) KDM4ECYP1A2CYP2D6HIF1APDXK
SCHEMBL31184201 0.63 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDXKALDH1A1
SCHEMBL3679226 0.63 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDXKALDH1A1
SCHEMBL28084175 0.62 KDM4E (0.58) KDM4ECYP1A2CYP2D6HIF1APDXK

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP ADRB2 4594/4885ADRB1 4314/4885KDM4E 648/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP ADRB2 4620/4885ADRB1 4349/4885KDM4E 608/4885

“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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