SCHEMBL1827625

SCHEMBL1827625

CCCCCCC(=O)c1ccc2c(c1)CC(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.50
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
STS P08842 4/20 0.42
HTR7 P34969 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL3781359 0.80 RXFP1 (0.40) HSD17B3ALDH1A1KDM4E
SCHEMBL4583779 0.77 HSD17B3 (0.58) HSD17B3STSHTR7S1PR5KDM4E
SCHEMBL21610337 0.77 HSD17B3 (0.58) HSD17B3STSHTR7S1PR5KDM4E
SCHEMBL16429605 0.76 ALDH1A1 (0.67) HPGDALDH1A1MAOBKDM4E
SCHEMBL15273098 0.76 ALDH1A1 (0.67) HPGDALDH1A1MAOBKDM4E
SCHEMBL10008853 0.75 HSD17B3 (0.57) HSD17B3STSHTR7S1PR5KDM4E
SCHEMBL11832428 0.75 HPGD (0.42) HSD17B3HPGDALDH1A1KDM4E
SCHEMBL18270705 0.74 CTSB (0.46) HSD17B3HPGDALDH1A1
SCHEMBL15272906 0.74 ALDH1A1 (0.68) HPGDALDH1A1MAOBKDM4E
SCHEMBL11801328 0.74 CTNNB1 (0.41) HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US claimed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US claimed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US claimed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP claimed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP claimed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US disclosed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP disclosed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP disclosed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 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-20060154977-A1 Therapeutic molecules and methods-1 MIF, IL1B, IL1A HSD17B3 838/4885HPGD 817/4885ALDH1A1 329/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A HSD17B3 838/4885HPGD 817/4885ALDH1A1 329/4885

“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.