SCHEMBL8799477

SCHEMBL8799477

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
AKT1 P31749 1/20 0.46
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALOX5 P09917 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
OXER1 Q8TDS5 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL16371432 1.00 TSHR (0.50) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL16371434 1.00 TSHR (0.50) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL2401509 0.89 TSHR (0.63) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL9188658 0.89 TSHR (0.63) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL2401513 0.89 TSHR (0.63) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL242764 0.86
SCHEMBL3284068 0.85 AKT1 (0.49) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL9331256 0.85 AKT1 (0.49) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL23706440 0.84 TSHR (0.52) TSHRAKT1LMNAALDH1A1EPHX2
SCHEMBL21594794 0.84 TSHR (0.52) TSHRAKT1LMNAALDH1A1EPHX2

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-20160030857-A1 Component Recovery Process INVISTA NORTH AMERICA S.A R.L. (US) 2016-02-04 US disclosed
WO-2015006360-A1 ACYCLIC ALKENES VIA OZONOLYSIS OF MULTI-UNSATURATED CYCLOALKENES INVISTA TECHNOLOGIES S.À R.L. (CH) 2015-01-15 WO disclosed
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 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-20160030857-A1 Component Recovery Process C9, C5, C1S TSHR 3985/4885AKT1 1666/4885LMNA 877/4885

“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.