SCHEMBL29661990

SCHEMBL29661990

COc1cccc(C)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
LMNA P02545 1/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
MAPK1 P28482 1/20 0.67
TLR2 O60603 1/20 0.53
ERN1 O75460 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
TRPA1 O75762 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 1/20 0.50
ELANE P08246 1/20 0.50

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
SCHEMBL50085 1.00 ALDH1A1 (0.67) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL28559029 0.98 MAPT (0.64) ALDH1A1MAPTTP53KDM4EHPGD
Syringol SCHEMBL156388 0.85 KDM4E (0.80) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL921819 0.83 ALDH1A1 (0.62) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL6681770 0.83 ALDH1A1 (0.62) ALDH1A1MAPTTP53KDM4EHPGD
1,2-Dimethoxybenzene SCHEMBL27632099 0.83 ALDH1A1 (0.69) ALDH1A1MAPTTP53KDM4EHPGD
Syringol SCHEMBL6049240 0.82 KDM4E (0.76) ALDH1A1MAPTTP53KDM4EHPGD
Syringol SCHEMBL8986496 0.82 KDM4E (0.76) ALDH1A1MAPTTP53KDM4EHPGD
Syringol SCHEMBL7610366 0.82 KDM4E (0.76) ALDH1A1MAPTTP53KDM4EHPGD
Guaiacol SCHEMBL7640932 0.81 CA1 (0.69) ALDH1A1MAPTTP53KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220183937-A1 METHOD FOR IMPROVING THE PERFORMANCE OF A FRAGRANCE OR A FRAGRANCE MIXTURE SYMRISE AG (DE) 2022-06-16 US claimed
US-12012429-B2 Renewable aromatics from lignocellulosic lignin NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-06-18 US disclosed
US-20220183937-A1 METHOD FOR IMPROVING THE PERFORMANCE OF A FRAGRANCE OR A FRAGRANCE MIXTURE SYMRISE AG (DE) 2022-06-16 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 (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-20220183937-A1 METHOD FOR IMPROVING THE PERFORMANCE OF A FRAGRANCE OR A FRAGRANCE MIXTURE CUTA, DEGS1, DHCR24 ALDH1A1 395/4885MAPT 3163/4885TP53 257/4885
US-12012429-B2 Renewable aromatics from lignocellulosic lignin DCXR, ALG1, AGL ALDH1A1 1904/4885MAPT 986/4885TP53 2796/4885

“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.