SCHEMBL6907407

SCHEMBL6907407

CCC=CCC(C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 2/20 0.41
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL3269453 0.86 CYP2C19 (0.57) CYP2C19LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL667322 0.84 CYP2C19 (0.62) CYP2C19LMNAHSD17B10SMN1; SMN2GRIK1
SCHEMBL11117064 0.83 CYP2C19 (0.49) CYP2C19LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL1716761 0.83 CYP2C19 (0.49) CYP2C19LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL1716759 0.83 CYP2C19 (0.49) CYP2C19LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL11071970 0.81 CYP2C19 (0.56) CYP2C19LMNAHSD17B10SMN1; SMN2CYP2D6
SCHEMBL17730949 0.80 CYP2C19 (0.62) CYP2C19LMNASMN1; SMN2CYP2D6SRC
SCHEMBL845836 0.80 CYP2C19 (0.62) CYP2C19LMNASMN1; SMN2CYP2D6SRC
SCHEMBL17730952 0.80 CYP2C19 (0.62) CYP2C19LMNASMN1; SMN2CYP2D6SRC
SCHEMBL3253010 0.79 CYP2C19 (0.61) CYP2C19LMNASMN1; SMN2GRIK1GRIK2

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-6720450-B2 USING SUCH AS 7-CYCLOHEXYL-(4,5-METHANO)HEPTANOIC ACID; CONTROLLING BLOOD INGESTING INSECTS NORTH CAROLINA STATE UNIVERSITY 2004-04-13 US disclosed
US-20030149103-A1 Pesticidal activity of functionalized cyclopropanes NORTH CAROLINA STATE UNIVERSITY 2003-08-07 US disclosed
WO-2003051118-A1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED CYCLOPROPANES NORTH CAROLINA STATE UNIVERSITY (US) 2003-06-26 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-20030149103-A1 Pesticidal activity of functionalized cyclopropanes DDT, PPIF, CYP4F3 CYP2C19 283/4885LMNA 3689/4885HSD17B10 1853/4885

“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.