SCHEMBL2991609

SCHEMBL2991609

CC(C)/C(=C\C=C\C=C(\C(=O)O)C(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2991614 1.00 PTGS1 (0.34) PTGS1TP53TSHRALDH1A1ALOX15
SCHEMBL3644292 1.00 PTGS1 (0.34) PTGS1TP53TSHRALDH1A1ALOX15
SCHEMBL16669623 0.79
SCHEMBL2992746 0.79 TSHR (0.31) TSHR
SCHEMBL16670099 0.79
SCHEMBL16669622 0.79
SCHEMBL2992750 0.79 TSHR (0.31) TSHR
SCHEMBL4258914 0.77 PTGS1 (0.40) PTGS1
SCHEMBL800041 0.77
SCHEMBL3161915 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
EP-2173698-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF RENIN INHIBITORS SUCH AS ALISKIREN Novartis Ag (CH) 2010-04-14 EP disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 WO disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 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 (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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 PTGS1 698/4885TP53 3493/4885TSHR 4667/4885

“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.