SCHEMBL12913231

SCHEMBL12913231

CC1(C)OB(c2cc(CCCc3ccccc3)cs2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 9/20 0.45
▸ LPL P06858 8/20 0.45
▸ LTB4R Q15722 3/20 0.40
▸ DAO P14920 2/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ LAP3 P28838 1/20 0.37
▸ HTR2A P28223 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL25049186 0.85 LIPG (0.39) LIPGLPLLTB4RANPEPLAP3
SCHEMBL12913268 0.84 LPL (0.49) LIPGLPLNPC1
SCHEMBL9891143 0.82 LPL (0.55) LIPGLPLHTR2ACYP1A2
SCHEMBL121471 0.81 LPL (0.56) LIPGLPLHTR2A
SCHEMBL31516134 0.81 LPL (0.56) LIPGLPLHTR2A
SCHEMBL15072065 0.81 LPL (0.56) LIPGLPLHTR2A
SCHEMBL21052188 0.77 LPL (0.39) LIPGLPL
SCHEMBL13764298 0.74 LIPG (0.54) LIPGLPLANPEPLAP3NPC1
SCHEMBL12913293 0.73 LMNA (0.33) LIPGLPL
SCHEMBL20998175 0.71 LIPG (0.50) LIPGLPLANPEPLAP3

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 9 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

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 LIPG 3850/4885LPL 3369/4885LTB4R 1198/4885

“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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