SCHEMBL5855804

SCHEMBL5855804

Cc1ccc(-c2nc(CCCCBr)c(C)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.53
PPARA Q07869 9/20 0.53
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PPARD Q03181 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
TARBP2 Q15633 1/20 0.43

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
SCHEMBL5855959 0.98 PPARG (0.52) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL204655 0.89 SMN1; SMN2 (0.48) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL5854753 0.88 PPARG (0.57) PPARGPPARAPPARDHPGDHRH3
SCHEMBL5856033 0.87 PPARG (0.59) PPARGPPARAPPARDHPGDHRH3
SCHEMBL5855420 0.85 PPARG (0.56) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL5855653 0.85 PPARG (0.48) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL5856859 0.84 PPARG (0.55) PPARGPPARAALDH1A1SMN1; SMN2PPARD
SCHEMBL6383881 0.83 HRH3 (0.58) PPARGPPARAPPARDHPGDHRH3
SCHEMBL2705773 0.82 TP53 (0.49) ALDH1A1SMN1; SMN2POLBHPGDHSD17B10
SCHEMBL5855750 0.82 PPARA (0.57) PPARGPPARAALDH1A1SMN1; SMN2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB PPARG 393/4885PPARA 464/4885ALDH1A1 760/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE PPARG 603/4885PPARA 579/4885ALDH1A1 571/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARG 701/4885PPARA 660/4885ALDH1A1 557/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARG 701/4885PPARA 660/4885ALDH1A1 557/4885

“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.