Octanedioate

Octanedioate

SCHEMBL6536627

O=C(O)CCCCCCC(=O)O.O=C1CCC(=O)N1S(=O)(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TBXA2R P21731 1/20 0.39
F13A1 P00488 3/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PRMT1 Q99873 1/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
HDAC11 Q96DB2 2/20 0.38

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
Octanedioate SCHEMBL4025944 1.00 TSHR (0.44) TSHRLMNANFKB1PMP22PTGS1
Propionic Acid SCHEMBL22749330 0.81 FFAR3 (0.40) KMT2AALDH1A1
SCHEMBL36368 0.79 PARL (0.43)
SCHEMBL28063863 0.78 TSHR (0.38) TSHRLMNANFKB1PMP22PTGS1
Octanedioate SCHEMBL7080168 0.78 TSHR (0.55) TSHRLMNANFKB1PMP22PTGS1
SCHEMBL29748565 0.77 PARL (0.46) LMNA
SCHEMBL1841389 0.77 LMNA (0.36) TSHRLMNANFKB1PMP22PTGS1
Tetraxetan SCHEMBL3797845 0.76 HSD17B10 (0.40) TSHRMEN1KMT2AALDH1A1HSD17B10
Octanedioate SCHEMBL6037661 0.76 TSHR (0.52) TSHRLMNANFKB1PMP22PTGS1
Azelaic Acid SCHEMBL28918234 0.76 TSHR (0.52) TSHRLMNANFKB1PMP22PTGS1

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-12551565-B2 CD44 targeted multi-arm conjugate BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2026-02-17 US disclosed
EP-3928797-B1 CD44 TARGETED MULTI-ARM CONJUGATE BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2024-10-09 EP disclosed
US-20220096644-A1 CD44 TARGETED MULTI-ARM CONJUGATE BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2022-03-31 US disclosed
EP-0951480-A4 METHOD AND NOVEL COMPOUNDS FOR USE THEREIN BIOTA SCIENT MANAGEMENT (AU) 2004-07-28 EP disclosed
US-6680054-B1 SIALIC ACID DERIVATIVE FUNCTIONALIZED VIA 7-POSITION; INFLUENZA ANTIVIRAL AGENT BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2004-01-20 US disclosed
EP-0951480-A1 METHOD AND NOVEL COMPOUNDS FOR USE THEREIN BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1999-10-27 EP disclosed
WO-1998021243-A1 METHOD AND NOVEL COMPOUNDS FOR USE THEREIN BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1998-05-22 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 (2 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-12551565-B2 CD44 targeted multi-arm conjugate CD44, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MUC1 TSHR 76/4885LMNA 2340/4885NFKB1 3020/4885
US-20220096644-A1 CD44 TARGETED MULTI-ARM CONJUGATE CD44, BCL6, SIGLEC7 TSHR 1040/4885LMNA 2401/4885NFKB1 3594/4885

“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.