SCHEMBL7108671

SCHEMBL7108671

C=CC(C)C(OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.59
SLC1A1 P43005 7/20 0.59
SLC1A3 P43003 6/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CTSB P07858 1/20 0.39
PTGS2 P35354 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL2004125 0.83 SLC1A2 (0.67) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2004120 0.83 SLC1A2 (0.67) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL852209 0.82 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL418322 0.82 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL1953602 0.82 SLC1A3 (0.76) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL8840019 0.81 SLC1A2 (0.65) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
Water SCHEMBL30419716 0.81 SLC1A3 (0.73) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2000767 0.80 SLC1A2 (0.63) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL2000459 0.79 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3MEN1CYP1A2
SCHEMBL23867724 0.78 ALDH1A1 (0.45) SLC1A2SLC1A1SLC1A3MEN1CYP1A2

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-6528503-B2 Anticoagulants MERCK & CO., INC. 2003-03-04 US disclosed
US-20030013700-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2003-01-16 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-20030013700-A1 Thrombin inhibitors TFPI, PLAT, TFPI2 SLC1A2 3541/4885SLC1A1 2916/4885SLC1A3 2619/4885

“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.