SCHEMBL14478186

SCHEMBL14478186

C=C(c1ccc(O)c(O)c1)C(C)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ RECQL P46063 7/20 0.50
▸ GAA P10253 2/20 0.50
▸ DBH P09172 1/20 0.50
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA7 P43166 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ CA14 Q9ULX7 4/20 0.46
▸ TDP1 Q9NUW8 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALOX15 P16050 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ THPO P40225 2/20 0.44

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
SCHEMBL4953998 0.76 KDM4E (0.71) KDM4ERECQLGAADBHCA12
SCHEMBL426484 0.76 KDM4E (0.71) KDM4ERECQLGAADBHCA12
SCHEMBL14640234 0.76 KDM4E (0.42) KDM4ERECQLGAADBHCA12
SCHEMBL10830418 0.76 KDM4E (0.52) KDM4ERECQLGAADBHCA12
SCHEMBL11536841 0.73 KDM4E (0.67) KDM4ERECQLGAADBHCA12
Hydrochloric Acid SCHEMBL11290292 0.72 KDM4E (0.65) KDM4ERECQLGAADBHCA12
SCHEMBL22758018 0.72 KDM4E (0.49) KDM4EGAACA12CA1CA2
SCHEMBL7909292 0.72 CA12 (0.50) KDM4ERECQLGAADBHCA12
SCHEMBL5468569 0.71 CA12 (0.54) KDM4ERECQLGAADBHCA12
SCHEMBL21450862 0.71 CA12 (0.62) KDM4ERECQLGAADBHCA12

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 3 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
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 — — 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 648/4885RECQL 4439/4885GAA 1259/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885RECQL 4437/4885GAA 1242/4885

“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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