SCHEMBL9864647

SCHEMBL9864647

COc1cc(C=O)c(I)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TRIM24 O15164 2/20 0.49
TRIM33 Q9UPN9 2/20 0.49
AOX1 Q06278 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
ERN1 O75460 10/20 0.47
PRKDC P78527 2/20 0.47
TYR P14679 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL3268135 0.93 ERN1 (0.50) CGASALDH1A1TDP1KDM4ETSHR
SCHEMBL1589608 0.84 ALDH1A1 (0.65) ALDH1A1TDP1KDM4ETSHRHPGD
SCHEMBL1002368 0.82 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29459687 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL1004432 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL29459727 0.82 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL1054210 0.81 ALDH1A1 (0.55) ALDH1A1TDP1KDM4ETSHRTRIM24
SCHEMBL12082032 0.79 ALDH1A1 (0.53) ALDH1A1TDP1KDM4ETSHRHPGD
SCHEMBL286553 0.79 ALDH1A1 (0.53) CGASALDH1A1TDP1KDM4ETSHR
SCHEMBL6234401 0.79 ERN1 (0.53) ALDH1A1TDP1KDM4ETSHRTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-5015661-A Lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-05-14 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 (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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 CGAS 1/4885ALDH1A1 3908/4885TDP1 59/4885

“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.