SCHEMBL3530399

SCHEMBL3530399

Cc1cc(C)c(C(C)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
RAPGEF4 Q8WZA2 4/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL11035532 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL21753734 0.84 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3CA1RAPGEF4
SCHEMBL9686493 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL18287890 0.80 IGFBP3 (0.41) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL23495805 0.79 MEN1 (0.40) CA1RAPGEF4
SCHEMBL13021426 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL19126691 0.79 GABRA1 (0.39) RAPGEF4ALDH1A1LMNA
SCHEMBL6055138 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CA1CA2
SCHEMBL13021424 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CA1CA2
Hydrogen Peroxide SCHEMBL10882706 0.78 LDHA (0.39) SLC6A2SLC6A4SLC6A3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266768-A1 IRON-BASED COMPLEXES FOR USE IN THE CATALYSIS OF HYDROSILYLATION REACTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-12-29 WO disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
EP-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 EP disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 EP disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
EP-0161580-A2 Process for the preparation of a lacton F. HOFFMANN-LA ROCHE AG (CH) 1985-11-21 EP disclosed
EP-0149976-A2 Substituted imidazoles CIBA-GEIGY AG (CH) 1985-07-31 EP 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A2 364/4885SLC6A4 773/4885SLC6A3 437/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A2 364/4885SLC6A4 773/4885SLC6A3 437/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A2 364/4885SLC6A4 773/4885SLC6A3 437/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SLC6A2 364/4885SLC6A4 773/4885SLC6A3 437/4885

“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.