SCHEMBL3354340

SCHEMBL3354340

CC=C(C(=O)O)c1cc(C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ AKR1C2 P52895 1/20 0.41

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
SCHEMBL3354332 1.00 ACHE (0.47) ACHEALDH1A1TSHRL3MBTL1MEN1
SCHEMBL91954 0.80 CSNK2A1 (0.59) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL30100430 0.80 CSNK2A1 (0.59) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL8474824 0.79 CA12 (0.55) ALDH1A1SMN1; SMN2ABCG2TP53AKR1C2
SCHEMBL8474827 0.79 CA12 (0.55) ALDH1A1SMN1; SMN2ABCG2TP53AKR1C2
SCHEMBL9726812 0.77 ACHE (0.58) ACHEALDH1A1TSHRMAPTCYP3A4
SCHEMBL1208684 0.77 ACHE (0.48) ACHEALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1210111 0.76 SRC (0.58) ACHEALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL30482833 0.76 SRC (0.58) ACHEALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL23935477 0.74 ACHE (0.54) ACHEALDH1A1TSHRL3MBTL1MEN1

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 ACHE 3752/4885ALDH1A1 1497/4885TSHR 675/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX ACHE 3783/4885ALDH1A1 576/4885TSHR 1176/4885

“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.

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