SCHEMBL19803239

SCHEMBL19803239

COc1cc(C(C)(C)C)cc(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.35
POLB P06746 1/20 0.34
HTR1D P28221 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NR1I2 O75469 2/20 0.33
HTR2A P28223 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KIF11 P52732 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ACHE P22303 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL13021639 0.85 POLB (0.41) POLBHTR1DCYP3A4LMNATP53
SCHEMBL19504378 0.83 CNR2 (0.33) TUBB1LMNAHTR2AKIF11
SCHEMBL13208392 0.82 TUBB1 (0.38) TUBB1POLBHTR1DCYP3A4LMNA
SCHEMBL15828699 0.81 POLB (0.43) TUBB1POLBHTR1DCYP3A4LMNA
SCHEMBL12390583 0.80 POLB (0.44) POLBHTR1DLMNAHPGDALOX15
SCHEMBL19504309 0.80 FGFR2 (0.33) POLBHTR1DCYP3A4LMNATP53
SCHEMBL12016747 0.76 POLB (0.46) POLBHTR1DCYP3A4LMNATP53
SCHEMBL13558892 0.76 HIF1A (0.39) POLBCYP3A4LMNATP53HPGD
SCHEMBL12724998 0.76 LMNA (0.31) CYP3A4LMNATP53HPGDALOX15
SCHEMBL19803230 0.76 HTR1D (0.35) HTR1DCYP3A4LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180021316-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-01-25 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-20180021316-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 TUBB1 314/4885POLB 563/4885HTR1D 3131/4885

“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.