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SCHEMBL3591301

SCHEMBL3591301

COC(=O)CCCCC(Br)CCc1ccccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ FFAR4 Q5NUL3 3/20 0.36
▸ SGMS2 Q8NHU3 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13443165 0.90 PTGFR (0.40) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL3601624 0.86 POLB (0.42) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL3600414 0.83 RAB9A (0.37) PTGER1PTGER4PTGER3PTGER2PPARG
SCHEMBL3602387 0.83 MAPT (0.37) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL3604761 0.82 MAPT (0.36) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL3598271 0.82 PDE4A (0.39) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL3603564 0.81 KMT2A (0.36) PTGER1PTGER4PTGER3PTGER2PPARG
SCHEMBL3590675 0.81 FFAR4 (0.47) PTGER1PTGER4PTGER3PTGER2FFAR4
SCHEMBL6138566 0.79 PPARG (0.41) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL13463187 0.78 PDE4A (0.32) POLBCYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 — — US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 — — US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 — — US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 — — US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 — — US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 — — US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 — — 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 (1 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA PTGER1 633/4885PTGER4 866/4885PTGER3 889/4885

“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.