SCHEMBL17312349

SCHEMBL17312349

CCC(Oc1ccc(CNc2cc(C)ccc2O)cc1OC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.41
▸ INSR P06213 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.35

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
SCHEMBL17327969 0.80 GAA (0.43) GAAINSRIGF1RALDH1A1MAPT
SCHEMBL16294684 0.70 ALDH1A1 (0.65) GAAALDH1A1MAPTKDM4EALOX15
SCHEMBL17312339 0.69 SMN1; SMN2 (0.43) GAAALDH1A1KDM4ETSHRHDAC1
SCHEMBL8935691 0.69 PPARA (0.61) ALDH1A1KDM4EKMT2ATSHRPPARA
SCHEMBL8935696 0.69 PPARA (0.61) ALDH1A1KDM4EKMT2ATSHRPPARA
SCHEMBL8071290 0.68 PPARG (0.48) ALDH1A1HSD17B10TSHRHDAC1PPARA
SCHEMBL10873018 0.68 MAPT (0.53) GAAIGF1RALDH1A1MAPTKDM4E
SCHEMBL8935915 0.66 SMN1; SMN2 (0.62) GAAALDH1A1KDM4EKMT2ATSHR
SCHEMBL8935907 0.66 SMN1; SMN2 (0.62) GAAALDH1A1KDM4EKMT2ATSHR
SCHEMBL5861853 0.66 SMN1; SMN2 (0.62) GAAMAPTKDM4EKMT2ATSHR

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-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 — — US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 — — 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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 GAA 1058/4885INSR 1164/4885IGF1R 101/4885

“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.

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