SCHEMBL3567544

SCHEMBL3567544

CCCCCCOc1c(C(=O)OCC)c(C(=O)OCC)c(OCCCCCC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 6/20 0.53
HTT P42858 1/20 0.51
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL3567546 0.95 TSHR (0.48) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL3566656 0.94 TSHR (0.50) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL3570708 0.91 ALDH1A1 (0.45) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL2295378 0.89 CA12 (0.50) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL3566659 0.89 KDM4E (0.45) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL3570710 0.87 ALDH1A1 (0.42) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL3565898 0.85 LMNA (0.43) TSHRALDH1A1LMNAHTTCYP3A4
SCHEMBL2253345 0.84 CA12 (0.55) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL3560912 0.84 ADORA3 (0.45) TSHRALDH1A1LMNAMAPK1HSD17B10
SCHEMBL3564124 0.83 TSHR (0.51) TSHRALDH1A1LMNACYP3A4TP53

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
EP-1886993-B1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 US disclosed
EP-1886993-A1 BENZO[F]ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-02-13 EP disclosed
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor CONGREVE MILES S 2007-04-19 US disclosed
US-7166631-B2 Benzo[f]isoindole derivatives with affinity to the EP4 receptor GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor GLAXO GROUP LIMITED (GB) 2005-04-14 US 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 (3 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-20050080257-A1 Benzo'fisoindole derivatives with affinity to the ep4 receptor PTGER4, PTGER1, PTGER3 TSHR 965/4885ALDH1A1 1672/4885LMNA 2601/4885
US-20070088068-A1 Benzo[F]Isoindole Derivatives With Affinity To The EP4 Receptor PTGER4, PTGER1, GPR4 TSHR 454/4885ALDH1A1 1118/4885LMNA 2990/4885
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid PTGER3, OPRL1, PTGER1 TSHR 965/4885ALDH1A1 565/4885LMNA 3780/4885

“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.