SCHEMBL722829

SCHEMBL722829

C=CCc1[c]cccc1CCCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
LIPG Q9Y5X9 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TYR P14679 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 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
SCHEMBL11811972 0.95 THRA (0.40) THRATHRBLIPGALOX5PTGS2
SCHEMBL4020624 0.94 THRA (0.42) CYP3A4THRATHRBLIPGTYR
SCHEMBL677297 0.83 LIPG (0.39) CYP3A4CYP2D6CYP2C9LIPGTYR
SCHEMBL3267471 0.83 THRB (0.37) THRATHRBLIPGGABRA1GABRB2
SCHEMBL7726842 0.81 THRA (0.39) THRATHRBLIPGGABRA1GABRB2
SCHEMBL7828514 0.81 LIPG (0.38) CYP3A4CYP2D6CYP2C9LIPGTYR
SCHEMBL176260 0.81 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL817104 0.80 LIPG (0.44) CYP3A4LIPGTYRALOX5PTGS2
SCHEMBL7267794 0.80 LIPG (0.44) CYP3A4LIPGTYRALOX5PTGS2
SCHEMBL983670 0.78 LIPG (0.47) CYP3A4THRATHRBLIPGTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182219-A1 Crystallization inhibitor for plant-protective formulations MEYER GERD R (DE) 2005-08-18 US claimed
US-9801372-B2 Polymers for increasing the soil mobility of low-solubility insecticides BASF SE (DE) 2017-10-31 US disclosed
US-20120053221-A1 Polymers for Increasing the Soil Mobility of Low-Solubility Insecticides BASF SE (DE) 2012-03-01 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-20120053221-A1 Polymers for Increasing the Soil Mobility of Low-Solubility Insecticides SMARCA1, PWWP2B, SMARCB1 CYP3A4 1356/4885CYP2D6 2183/4885CYP2C9 1111/4885

“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.