SCHEMBL18545313

SCHEMBL18545313

CC(=O)C[C@H](C)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.46
ACHE P22303 1/20 0.46
ALB P02768 1/20 0.43
FFAR1 O14842 1/20 0.42
TSHR P16473 2/20 0.41
ACACB O00763 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDPK1 O15530 1/20 0.37
TPMT P51580 1/20 0.35
GSK3B P49841 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL19361126 1.00 STAT3 (0.46) STAT3ACHEALBFFAR1TSHR
SCHEMBL7612976 0.84 FFAR1 (0.59) STAT3ACHEFFAR1TSHRACACB
SCHEMBL10241629 0.82 ESR1 (0.53) STAT3ACHEFFAR1TSHRALDH1A1
SCHEMBL14731823 0.82 ACHE (0.67) STAT3ACHEFFAR1TSHRALDH1A1
SCHEMBL6046252 0.79 MAPT (0.45) STAT3ACHEFFAR1TSHRACACB
SCHEMBL1149358 0.79 FFAR1 (0.53) FFAR1ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL1149769 0.79 FFAR1 (0.53) FFAR1ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL11484603 0.79 FFAR1 (0.53) FFAR1ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL3647766 0.78 GSK3B (0.42) STAT3ALBACACBALDH1A1TDP1
SCHEMBL11477030 0.78 GRIA4 (0.49) STAT3ACHEFFAR1TSHRALDH1A1

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-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170049723-A1 ISOLATED COMPOUNDS FROM TURMERIC OIL AND METHODS OF USE COGNITION THERAPEUTICS, INC. 2017-02-23 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-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 STAT3 4728/4885ACHE 398/4885ALB 4181/4885
US-20170049723-A1 ISOLATED COMPOUNDS FROM TURMERIC OIL AND METHODS OF USE APP, MAPT, PSEN1 STAT3 284/4885ACHE 6/4885ALB 792/4885

“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.