SCHEMBL3354334

SCHEMBL3354334

COc1ccc(C)cc1C/C=C/C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.53
PTGER3 P43115 4/20 0.53
PTGER2 P43116 4/20 0.53
PTGER1 P34995 3/20 0.53
SLC13A5 Q86YT5 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL1285885 0.81 TAAR1 (0.46) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL12476008 0.77 ACHE (0.50) SLC13A5ALDH1A1KDM4EHPGDMAPK1
SCHEMBL29773177 0.76 HSD17B10 (0.70) SLC13A5ALDH1A1SMN1; SMN2HSD17B10ALOX15
SCHEMBL13205866 0.76 HSD17B10 (0.70) SLC13A5ALDH1A1SMN1; SMN2HSD17B10ALOX15
SCHEMBL5104190 0.75 MAPT (0.41) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL27919546 0.75 ALDH1A1 (0.61) PTGER4PTGER3PTGER2ALDH1A1SMN1; SMN2
SCHEMBL5104193 0.75 MAPT (0.41) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL28758229 0.75 MAPT (0.43) PTGER4PTGER3PTGER2ALDH1A1SMN1; SMN2
SCHEMBL7092087 0.74 KDM4E (0.62) PTGER4PTGER3PTGER2ALDH1A1SMN1; SMN2
SCHEMBL18123531 0.74 CYP19A1 (0.47) SLC13A5ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 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-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 PTGER4 3967/4885PTGER3 2380/4885PTGER2 3482/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX PTGER4 1690/4885PTGER3 2602/4885PTGER2 2327/4885

“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.