SCHEMBL20047447

SCHEMBL20047447

CCCCCCC(C)(CCCC)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
HDAC11 Q96DB2 5/20 0.56
TSHR P16473 4/20 0.56
PTPN1 P18031 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE4A P27815 1/20 0.56
PDE3A Q14432 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL20076199 1.00 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL20047701 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25224753 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL19413774 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25227866 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25226796 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25272229 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25226353 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL18852696 0.98 GPR84 (0.58) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL20223662 0.98 AKR1B1 (0.54) GPR84PPARGPPARDPPARAHDAC11

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-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2020-11-12 US disclosed
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2020-09-29 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. 2019-10-17 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-10287253-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators Apros Therapeutics, Inc. (US) 2019-05-14 US disclosed
US-20180155298-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS Apros Therapeutics, Inc. 2018-06-07 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (10 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GPR84 124/4885PPARG 29/4885PPARD 139/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 GPR84 124/4885PPARG 29/4885PPARD 139/4885
US-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GPR84 547/4885PPARG 719/4885PPARD 684/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B GPR84 4238/4885PPARG 3169/4885PPARD 2082/4885
US-20180155298-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 GPR84 216/4885PPARG 364/4885PPARD 371/4885
US-20190314372-A1 PYRIMIDINE COMPOUNDS CONTAINING ACIDIC GROUPS MAVS, TLR7, STING1 GPR84 216/4885PPARG 364/4885PPARD 371/4885
US-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 GPR84 4413/4885PPARG 3405/4885PPARD 1878/4885
US-10287253-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS GPR84 225/4885PPARG 453/4885PPARD 448/4885
US-10786502-B2 Substituted pyrimidines containing acidic groups as TLR7 modulators TLR7, TLR9, MAVS GPR84 225/4885PPARG 453/4885PPARD 448/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 GPR84 3935/4885PPARG 3367/4885PPARD 2011/4885

“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.