SCHEMBL435669

SCHEMBL435669

Cc1c(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR2E1 Q9Y466 1/20 0.43
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
CYP2C9 P11712 1/20 0.41
NR1H2 P55055 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PPARG P37231 1/20 0.41
S1PR1 P21453 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL436546 0.91 RXRA (0.47) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL435644 0.91 RXRA (0.58) RXRARXRBRXRGFFAR1
SCHEMBL435668 0.84 PLA2G10 (0.51) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL436612 0.83 RXRA (0.49) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL2984870 0.78 CYP1A2 (0.50) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL437655 0.78 RXRA (0.52) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL436570 0.77 RXRA (0.49) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL438245 0.77 RXRA (0.51) RXRARXRBRXRGFFAR1PPARD
SCHEMBL435626 0.76 PLA2G10 (0.51) RXRARXRBRXRGFFAR1FFAR4
SCHEMBL438096 0.76 KDM4E (0.55) BACE1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US claimed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US claimed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US claimed
CN-101534814-A Therapeutic compounds for diseases and disorders MYRIAD GENETICS INC (US) 2009-09-16 CN claimed
EP-2059238-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS Myriad Genetics, Inc. (US) 2009-05-20 EP claimed
WO-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO claimed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO 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 (3 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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B RXRA 3768/4885RXRB 3278/4885RXRG 3367/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 RXRA 2625/4885RXRB 2005/4885RXRG 2325/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B RXRA 3768/4885RXRB 3278/4885RXRG 3367/4885

“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.