SCHEMBL18959129

SCHEMBL18959129

CCOC(C)(C)/C=C(\C#N)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 7/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTP4A1 Q93096 1/20 0.31
CYP1A2 P05177 1/20 0.31
MIF P14174 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19421191 0.86 ALDH1A1 (0.41) CYP2C9KDM4ELMNAALDH1A1MAPT
SCHEMBL18960364 0.84 KDM4E (0.41) CYP2C9KDM4EALDH1A1MAPTMEN1
SCHEMBL15711100 0.84 KDM4E (0.41) CYP2C9KDM4EALDH1A1MAPTMEN1
SCHEMBL19427233 0.84 CYP2C9 (0.37) CYP2C9KDM4EALDH1A1MAPTMEN1
SCHEMBL18959144 0.84 CYP2C9 (0.37) CYP2C9KDM4EALDH1A1MAPTMEN1
SCHEMBL20261365 0.81 CYP2C9 (0.35) CYP2C9KDM4ELMNAALDH1A1MAPT
SCHEMBL25712271 0.76 CYP2C9 (0.33) CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL20261585 0.76 KMT2A (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL18959027 0.74 MEN1 (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL16646886 0.72 MEN1 (0.31) CYP2C9ALDH1A1MEN1KMT2A

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-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 US disclosed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 WO 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-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CYP2C9 2811/4885KDM4E 1762/4885LMNA 1091/4885

“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.