SCHEMBL6055352

SCHEMBL6055352

CCOc1cccc(C(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
UGT2B7 P16662 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PTGS2 P35354 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL6055217 0.87 ALDH1A1 (0.51) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL6222759 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL11605502 0.87 TP53 (0.53) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL20738449 0.86 TP53 (0.49) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL3034249 0.86 KMT2A (0.53) ALDH1A1KDM4ETSHRKMT2ASMN1; SMN2
SCHEMBL254878 0.85 KDM4E (0.63) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL14066695 0.84 CACNA1B (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2ACACB
SCHEMBL6055172 0.84 LMNA (0.52) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL7330851 0.84 TP53 (0.50) TP53CYP3A4ALDH1A1KDM4ETSHR
SCHEMBL25384205 0.83 TP53 (0.53) TP53CYP3A4ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 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

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-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TP53 339/4885CYP3A4 882/4885ALDH1A1 1584/4885

“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.