SCHEMBL19923360

SCHEMBL19923360

COc1cc(C(C)(C)c2ccc(C)cc2)ccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LPAR1 Q92633 1/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL20850496 0.87 SCN1A (0.38) POLBGAAGFERADRA1A
SCHEMBL10267465 0.81 NR1I2 (0.41) POLBGAAGFER
SCHEMBL21361482 0.80 L3MBTL1 (0.45) NPC1RAB9ALPAR1LMNAACHE
SCHEMBL20254372 0.79 NFE2L2 (0.36)
SCHEMBL30033430 0.79 ACHE (0.58) POLBGAAGFERNPC1RAB9A
SCHEMBL196752 0.79 ACHE (0.58) POLBGAAGFERNPC1RAB9A
SCHEMBL17629451 0.79 ACHE (0.58) POLBGAAGFERNPC1RAB9A
SCHEMBL15801259 0.78 GAA (0.39) POLBGAAGFER
Methoxymethane SCHEMBL901280 0.77 ACHE (0.56) POLBGAAGFERNPC1RAB9A
SCHEMBL13698776 0.76 PDE2A (0.46) POLBGAAGFERRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130343-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2021-05-06 US disclosed
US-20180057488-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2018-03-01 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 (2 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-20180057488-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 POLB 654/4885GAA 2261/4885GFER 4529/4885
US-20210130343-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 POLB 654/4885GAA 2261/4885GFER 4529/4885

“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.