SCHEMBL5856750

SCHEMBL5856750

C=CCCCCC(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ABCC4 O15439 1/20 0.52
ALDH1A1 P00352 5/20 0.42
USP2 O75604 4/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.37
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
RECQL P46063 1/20 0.36
DDAH1 O94760 1/20 0.36
CPA1 P15085 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR35 Q9HC97 1/20 0.34
TBXAS1 P24557 1/20 0.33

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
SCHEMBL7088338 0.98 MAPT (0.56) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL11512450 0.98 MAPT (0.56) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL9495920 0.98 MAPT (0.56) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL5369364 0.98 MAPT (0.56) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL5859613 0.93 MAPT (0.48) MAPTABCC4ALDH1A1USP2CYP3A4
Malonic Acid SCHEMBL16458514 0.90 MAPT (0.53) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL4016679 0.84 MAPT (0.50) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL5862560 0.82 ABCC4 (0.46) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL21439803 0.82 MAPT (0.54) MAPTABCC4ALDH1A1USP2CYP3A4
SCHEMBL3804921 0.82 MAPT (0.54) MAPTABCC4ALDH1A1USP2CYP3A4

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
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO claimed
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 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
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
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 MAPT 4793/4885ABCC4 216/4885ALDH1A1 760/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE MAPT 4799/4885ABCC4 207/4885ALDH1A1 571/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPT 4835/4885ABCC4 344/4885ALDH1A1 557/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC MAPT 4835/4885ABCC4 344/4885ALDH1A1 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.