SCHEMBL10020532

SCHEMBL10020532

CC1C=C(C(=O)O)CC(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GABRR1 P24046 1/20 0.34
SYNJ2 O15056 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
SCHEMBL13758787 1.00 ALDH1A1 (0.35) ALDH1A1LMNAPOLBGABRR1SYNJ2
SCHEMBL12450139 0.84 ALDH1A1 (0.35) ALDH1A1LMNAPOLBGABRR1
SCHEMBL13968808 0.80 GABRR1 (0.34) GABRR1
SCHEMBL415680 0.80 GABRR1 (0.34) GABRR1
SCHEMBL17193807 0.79
Shikimic Acid SCHEMBL9885028 0.79 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL8943144 0.79 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL43377 0.79 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL13577074 0.79 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL12833224 0.79 GABRR1 (0.36) GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048183-A1 ANTIMICROBIAL AGENTS UNIV WARWICK (GB) 2020-02-13 US disclosed
US-9233263-B2 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2016-01-12 US disclosed
US-9233263-B2 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2016-01-12 US disclosed
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses Industrial Framaceutica Cantabria, S.A. (ES) 2012-02-16 US disclosed
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses Industrial Framaceutica Cantabria, S.A. (ES) 2012-02-16 US disclosed
US-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2007-02-01 US disclosed
US-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2007-02-01 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 (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-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses ME1, ME2, SI ALDH1A1 2765/4885LMNA 3635/4885POLB 350/4885
US-20200048183-A1 ANTIMICROBIAL AGENTS C3AR1, HCAR3, C5AR1 ALDH1A1 1104/4885LMNA 2290/4885POLB 3538/4885
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses ME1, ME2, SI ALDH1A1 2765/4885LMNA 3635/4885POLB 350/4885

“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.