SCHEMBL2004144

SCHEMBL2004144

CC(C)c1c(CC(=O)O)c2cccc(O)c2n1Cc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.44
THRA P10827 5/20 0.44
AKR1B1 P15121 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.37
CMA1 P23946 1/20 0.36
SLC22A12 Q96S37 2/20 0.35
EGFR P00533 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
SCHEMBL2012359 0.91 FABP4 (0.42) THRBTHRAAKR1B1PTGDR2
SCHEMBL2001708 0.89 THRB (0.50) THRBTHRAPTGDR2
SCHEMBL2007889 0.85 PTGDR2 (0.52) THRBTHRAAKR1B1PTGDR2KDM4E
SCHEMBL2007312 0.85 THRA (0.48) THRBTHRAPTGDR2
SCHEMBL2003935 0.83 MEN1 (0.39) THRBAKR1B1KDM4EALDH1A1HPGD
SCHEMBL2005426 0.83 AKR1B1 (0.46) THRBTHRAAKR1B1PTGDR2KDM4E
SCHEMBL2004421 0.83 THRB (0.49) THRBTHRAPTGDR2
SCHEMBL2009316 0.83 AKR1B1 (0.49) THRBTHRAAKR1B1PTGDR2KDM4E
SCHEMBL2002546 0.81 AKR1B1 (0.47) THRBTHRAAKR1B1PTGDR2KDM4E
SCHEMBL2007055 0.81 AKR1B1 (0.47) THRBTHRAAKR1B1PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 THRB 995/4885THRA 1983/4885AKR1B1 1157/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT THRB 1772/4885THRA 2755/4885AKR1B1 696/4885

“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.