SCHEMBL6503513

SCHEMBL6503513

COc1ccc(C2=C(C(=O)O)CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.69
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 1/20 0.59
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
DHODH Q02127 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
FGF23 Q9GZV9 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL6493029 0.81 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4PTGS2KDM4E
SCHEMBL6502878 0.81 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4PTGS2KDM4E
SCHEMBL6491174 0.81 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4PTGS2KDM4E
SCHEMBL6502875 0.81 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4PTGS2KDM4E
SCHEMBL9856614 0.81 SLC6A3 (0.53) SLC6A3KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6501875 0.79 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4PTGS2KDM4E
SCHEMBL11713431 0.79 RAB9A (0.57) SLC6A3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10524688 0.79 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4DHODHCA1
SCHEMBL1751614 0.78 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4PTGS2DHODH
SCHEMBL4350872 0.78 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4PTGS2DHODH

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-20210340168-A1 OXA-SPIRODIPHOSPHINE LIGAND AND METHOD FOR ASYMMETRIC HYDROGENATION OF alpha, beta-UNSATURATED CARBOXYLIC ACIDS SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2021-11-04 US disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20210340168-A1 OXA-SPIRODIPHOSPHINE LIGAND AND METHOD FOR ASYMMETRIC HYDROGENATION OF alpha, beta-UNSATURATED CARBOXYLIC ACIDS OXER1, NR1H3, OXGR1 SLC6A3 3920/4885SLC6A2 4349/4885SLC6A4 3887/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SLC6A3 3942/4885SLC6A2 1801/4885SLC6A4 3899/4885

“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.