SCHEMBL15836402

SCHEMBL15836402

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTR2A P28223 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ NR3C1 P04150 7/20 0.35
▸ NR3C2 P08235 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL13929520 0.80 MEN1 (0.41) CYP3A4LMNACA1CA2ALDH1A1
SCHEMBL22548874 0.78 CA1 (0.55) CYP3A4LMNATP53HPGDALOX15
SCHEMBL25767399 0.74 CYP1A2 (0.35) CYP3A4TP53ALOX15CA1CA2
SCHEMBL17207226 0.74 ALDH1A1 (0.34) ALOX15CA1CA2ALDH1A1CYP1A2
SCHEMBL13086666 0.74 TUBB1 (0.39) CYP3A4LMNATUBB1ACHEMEN1
SCHEMBL15840334 0.74 TUBB1 (0.43) CYP3A4LMNAALDH1A1TUBB1ACHE
SCHEMBL8225347 0.73 LMNA (0.47) CYP3A4LMNATP53HPGDALOX15
SCHEMBL22079791 0.73 CYP3A4 (0.47) CYP3A4LMNATP53HPGDALOX15
SCHEMBL278306 0.73 NR3C2 (0.49) CYP3A4LMNATP53HPGDALOX15
SCHEMBL18929373 0.72 ALDH1A1 (0.40) CYP3A4LMNATP53HPGDALOX15

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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 — — US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 — — US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 — — 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-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 CYP3A4 1589/4885LMNA 2788/4885TP53 1259/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 CYP3A4 1589/4885LMNA 2788/4885TP53 1259/4885

“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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