SCHEMBL14944873

SCHEMBL14944873

CC(N)C(O)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
HIF1A Q16665 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX5 P09917 1/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
BLM P54132 2/20 0.45
PKM P14618 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN7 P35236 1/20 0.45
ESR2 Q92731 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
AGTR1 P30556 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL27728696 0.84 KMT2A (0.50) KDM4ELMNAALDH1A1ALOX5KMT2A
SCHEMBL15272327 0.83 KMT2A (0.58) KDM4ELMNAALDH1A1ALOX5KMT2A
SCHEMBL11151822 0.83 KMT2A (0.58) KDM4ELMNAALDH1A1ALOX5KMT2A
SCHEMBL15272598 0.83 KMT2A (0.58) KDM4ELMNAALDH1A1ALOX5KMT2A
SCHEMBL10147174 0.82 KMT2A (0.48) KDM4ELMNAALDH1A1ALOX5KMT2A
SCHEMBL9725757 0.79 ALOX5 (0.40) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL9725754 0.79 ALOX5 (0.40) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL21029965 0.78 KMT2A (0.45) KDM4ELMNAALDH1A1ALOX5KMT2A
Dimethylamine SCHEMBL28482440 0.77 KMT2A (0.44) KDM4ELMNAADRA2CALDH1A1ALOX5
SCHEMBL11150700 0.77 KMT2A (0.52) KDM4EALDH1A1ALOX5KMT2APOLB

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 KDM4E 648/4885LMNA 578/4885HIF1A 2776/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885LMNA 572/4885HIF1A 2745/4885

“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.