SCHEMBL3183195

SCHEMBL3183195

CNC(C=C(C)C(=O)OC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL3183190 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TSHR
SCHEMBL58098 0.81 GLO1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL88552 0.81 GLO1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL12391156 0.81 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL21086708 0.80 KISS1R (0.32)
SCHEMBL16861443 0.78 TUBB1 (0.33)
SCHEMBL16862667 0.78 TUBB1 (0.33)
SCHEMBL22643755 0.78 TUBB1 (0.33)
SCHEMBL5578339 0.78 TUBB1 (0.33)
SCHEMBL5578335 0.78 TUBB1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666901-B2 -[(Diethylamino)methylene]-7,11-dihydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,10-dioxo-1,2,4,4a,5,6,6a,7,8,9,9a,10-dodecahydroindeno[4,5-h]isochromen-5-yl acetate; antitumor, -carcinogenic, proliferative agents; imroved antitumor activity; nontoxic; TOR (target of rapamycin) inhibitors WYETH (US) 2010-02-23 US disclosed
EP-1799699-A1 ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS Wyeth (US) 2007-06-27 EP disclosed
US-20060128793-A1 Analogs of 17-hydroxywortmannin as P13K inhibitors WYETH (US) 2006-06-15 US disclosed
WO-2006044453-A1 ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS WYETH (US) 2006-04-27 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-20060128793-A1 Analogs of 17-hydroxywortmannin as P13K inhibitors STK17A, STK17B, HSD17B7 ALDH1A1 1914/4885SMN1; SMN2 4632/4885TSHR 3852/4885

“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.