SCHEMBL5620602

SCHEMBL5620602

O=C(O)C=Cc1cccc(CCI)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HDAC3 O15379 1/20 0.53
TNKS O95271 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL5620604 1.00 LTB4R (0.57) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL22070543 0.85 CYP4F2 (0.58) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL27573363 0.84 NPSR1 (0.57) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL27789579 0.83 NPSR1 (0.60) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL14968897 0.83 KDM4E (0.56) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL14968898 0.83 KDM4E (0.56) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL853486 0.81 NPSR1 (0.61) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL853485 0.81 NPSR1 (0.61) LTB4RLTB4R2ALDH1A1KDM4EPKM
SCHEMBL27546423 0.81 NPSR1 (0.57) LTB4RLTB4R2ALDH1A1KDM4EPKM
Cinnamic Acid SCHEMBL890441 0.80 HCAR2 (0.76) LTB4RLTB4R2ALDH1A1KDM4EPKM

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-7169797-B2 Protein-tyrosine phosphatase inhibitors and uses thereof ABBOTT LABORATORIES (US) 2007-01-30 US disclosed
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid ABBVIE INC. 2004-10-28 US disclosed
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; ABBOTT LABORATORIES 2004-08-26 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-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; G6PC1, PPP1R1B, PPP1R7 LTB4R 4250/4885LTB4R2 4472/4885ALDH1A1 758/4885
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid G6PC1, PPP1R7, PPP1R1B LTB4R 4356/4885LTB4R2 4508/4885ALDH1A1 710/4885

“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.