SCHEMBL1395495

SCHEMBL1395495

O=C(O)Oc1ccccc1CO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CXCL8 P10145 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL10338678 0.85 TSHR (0.41) L3MBTL1TSHRCXCL8ALDH1A1KMT2A
SCHEMBL3342292 0.85 EPHX1 (0.53) EPHX1L3MBTL1HPGDLMNAGAA
SCHEMBL6006352 0.85 HTR1A (0.46) L3MBTL1TSHRCXCL8
SCHEMBL47951 0.83 L3MBTL1 (0.48) L3MBTL1HPGDTSHRALDH1A1MEN1
SCHEMBL6668242 0.82 KMT2A (0.59) EPHX1LMNAGAATSHRMEN1
SCHEMBL9616117 0.82 KDM4E (0.44) L3MBTL1TSHRCXCL8ALDH1A1PTGDR2
SCHEMBL3628841 0.82 PTGS2 (0.53) EPHX1HPGDLMNATSHRALDH1A1
SCHEMBL611228 0.82 CXCL8 (0.42) EPHX1L3MBTL1HPGDTSHRCXCL8
SCHEMBL4787649 0.82 EPHX1 (0.50) EPHX1L3MBTL1HPGDLMNATSHR
SCHEMBL8762969 0.82 EPHX1 (0.50) EPHX1L3MBTL1HPGDLMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570161-B2 Unique dual-action therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 US disclosed
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO 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 (3 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-20120010168-A1 Unique Dual-Action Therapeutics ACHE, PDE1A, PDE1C EPHX1 227/4885L3MBTL1 4648/4885HPGD 233/4885
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS ACHE, PDE1A, PDE1C EPHX1 227/4885L3MBTL1 4648/4885HPGD 233/4885
US-10570161-B2 Unique dual-action therapeutics ACHE, PDE1A, PDE1C EPHX1 167/4885L3MBTL1 4614/4885HPGD 234/4885

“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.