SCHEMBL893362

SCHEMBL893362

O=C(O)NCC(O)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
HPGD P15428 3/20 0.49
MMP8 P22894 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
CNR1 P21554 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL3510092 0.90 MMP2 (0.50) HPGDMMP8CYP2D6KMT2ASMN1; SMN2
SCHEMBL27210147 0.81 TRPA1 (0.47) TRPA1HPGDMMP8HDAC3HDAC1
SCHEMBL5833581 0.80 TRPA1 (0.56) TRPA1HDAC3HDAC1HDAC2HDAC8
SCHEMBL26296600 0.79 ASAH1 (0.62) HPGDKMT2ALMNAPKMCNR1
SCHEMBL2636331 0.79 TRPA1 (0.50) TRPA1CYP2D6CYP2C9CYP2C19PKM
SCHEMBL24095976 0.78 HPGD (0.54) HPGDCYP2C9CYP2C19EPHX2
SCHEMBL28009949 0.77 MMP12 (0.65) TRPA1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1063147 0.77 MMP12 (0.65) TRPA1HDAC3HDAC1HDAC2HDAC8
SCHEMBL15048946 0.77 HPGD (0.74) HPGDL3MBTL1LMNAPKMGAA
SCHEMBL26645664 0.76 SMN1; SMN2 (0.50) MMP8CYP2C19KMT2ALMNANPC1

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-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR TRPA1 2499/4885HPGD 106/4885MMP8 962/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR TRPA1 2499/4885HPGD 106/4885MMP8 962/4885

“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.