SCHEMBL19370640

SCHEMBL19370640

CC(C)NCCOC(C)Cc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.38
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
ATM Q13315 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL18556678 0.82 ADRB2 (0.39) KDM4ETOP2ATOP2BLMNAMEN1
SCHEMBL17448206 0.77 SMN1; SMN2 (0.45) KDM4ELMNAMEN1MAPK1KMT2A
SCHEMBL15762727 0.75 ALDH1A1 (0.48) KDM4ELMNAMEN1MAPK1KMT2A
SCHEMBL19370635 0.75 ALDH1A1 (0.46) CTSBKDM4EATMLMNAESR1
SCHEMBL17448211 0.72 EPHX1 (0.43) LMNA
SCHEMBL15602557 0.71 ALDH1A1 (0.42) KDM4ETOP2ATOP2BLMNAMEN1
SCHEMBL17448208 0.71 LTA4H (0.47) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL25448214 0.71 ALDH1A1 (0.41) KDM4ELMNAMEN1MAPK1KMT2A
SCHEMBL112859 0.70 ALDH1A1 (0.64) CTSBATMLMNAMAPK1KMT2A
SCHEMBL9917266 0.70 RXFP1 (0.44) KDM4EATMLMNAMEN1THRB

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-20170267774-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATION THROUGH GLYCOENGINEERING GENZYME CORPORATION 2017-09-21 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-20170267774-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATION THROUGH GLYCOENGINEERING SIGLEC9, SIGLEC7, STT3B CTSB 2882/4885KDM4E 1763/4885CYP1A2 4560/4885

“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.