SCHEMBL2592473

SCHEMBL2592473

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.39
GPR84 Q9NQS5 7/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
LMNA P02545 2/20 0.36
CA2 P00918 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL11307804 0.91 ZDHHC7 (0.46) FAAHGPR84FFAR1ZDHHC7MAPT
SCHEMBL2592474 0.87 GPR84 (0.41) FAAHGPR84CA1FFAR1ZDHHC7
SCHEMBL11157272 0.82 CA2 (0.47) FAAHGPR84CA1FFAR1ZDHHC7
SCHEMBL1545707 0.82 LMNA (0.47) FAAHGPR84FFAR1MAPTLMNA
Potassium Ion SCHEMBL11149021 0.82 CA2 (0.43) FAAHGPR84CA1FFAR1ZDHHC7
SCHEMBL575138 0.77 LMNA (0.35) LMNA
SCHEMBL28609396 0.74 FAAH (0.42) FAAHGPR84CA1FFAR1ZDHHC7
SCHEMBL4908226 0.73 MAPT (0.33) GPR84CA1FFAR1ZDHHC7MAPT
SCHEMBL7645775 0.73 GPR84 (0.45) FAAHGPR84CA1FFAR1ZDHHC7
SCHEMBL7645699 0.71 GPR84 (0.48) FAAHGPR84FFAR1ZDHHC7MAPT

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 FAAH 1516/4885GPR84 212/4885CA1 4661/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 FAAH 2549/4885GPR84 391/4885CA1 4461/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 FAAH 532/4885GPR84 1987/4885CA1 4568/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 FAAH 1855/4885GPR84 267/4885CA1 4259/4885

“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.