SCHEMBL2592474

SCHEMBL2592474

CCCCCC(OC(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
FAAH O00519 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
GRIK1 P39086 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL2592473 0.87 FAAH (0.39) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11307804 0.82 ZDHHC7 (0.46) GPR84FFAR1MAPTLCKPPARD
Potassium Ion SCHEMBL11149021 0.81 CA2 (0.43) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11157272 0.81 CA2 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1545707 0.81 LMNA (0.47) GPR84FFAR1MAPTFAAHFFAR4
SCHEMBL27602895 0.75 GPR84 (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27584516 0.74 SMPD1 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1836566 0.74 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28343444 0.73 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28187499 0.73 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
WO-2014039820-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS GTX, INC. (US) 2014-03-13 WO disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 US disclosed
EP-2566330-A1 NUCLEAR RECEPTOR BINDING AGENTS Gtx, Inc. (US) 2013-03-13 EP disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 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 (4 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA GPR84 212/4885FFAR1 103/4885MAPT 4533/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 GPR84 391/4885FFAR1 118/4885MAPT 4539/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 GPR84 1987/4885FFAR1 398/4885MAPT 2354/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 GPR84 267/4885FFAR1 46/4885MAPT 2024/4885

“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.