SCHEMBL12913293

SCHEMBL12913293

CC(C)CCC[C@H](C)CCc1csc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ LPL P06858 6/20 0.31
▸ LIPG Q9Y5X9 6/20 0.31
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL12913268 0.76 LPL (0.49) LPLLIPG
SCHEMBL18426208 0.76 LIPG (0.56) LMNALPLLIPG
SCHEMBL15072065 0.74 LPL (0.56) LMNALPLLIPG
SCHEMBL121471 0.74 LPL (0.56) LMNALPLLIPG
SCHEMBL31516134 0.74 LPL (0.56) LMNALPLLIPG
SCHEMBL12913231 0.73 LIPG (0.45) LPLLIPG
SCHEMBL21052188 0.73 LPL (0.39) LPLLIPG
SCHEMBL16683757 0.72 LMNA (0.41) LMNA
SCHEMBL15978010 0.70 LMNA (0.38) LMNA
SCHEMBL25064189 0.70 LPL (0.35) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
US-9018397-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2015-04-28 — — US disclosed
EP-2209788-B1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2013-09-04 — — EP disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-20130172575-A1 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-07-04 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
US-8404864-B2 Pyrrolopyrrole derivatives, their manufacture and use BASF SE (DE) 2013-03-26 — — US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — US disclosed
US-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (DE) 2011-01-06 — — US disclosed
WO-2009047104-A2 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE BASF SE (CH) 2009-04-16 — — 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-20110004004-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE PPOX, PIN1, DDT LMNA 3319/4885LPL 3369/4885LIPG 3850/4885

“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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