SCHEMBL17708148

SCHEMBL17708148

COc1ccc(C(C)(C)C)cc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL10064801 0.91 CA1 (0.44) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL12781664 0.84 CA1 (0.40) PDE4ACA1CA2CA9ALDH1A1
SCHEMBL12781659 0.84 CA1 (0.40) PDE4ACA1CA2CA9ALDH1A1
SCHEMBL7849070 0.84 KMT2A (0.43) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL179467 0.82 CA2 (0.50) PDE4ACA1CA2CA9SMN1; SMN2
SCHEMBL29436012 0.82 CA2 (0.50) PDE4ACA1CA2CA9SMN1; SMN2
SCHEMBL14804216 0.81 KDM4E (0.47) PDE4ACA1CA2CA9SMN1; SMN2
SCHEMBL12390581 0.80 CACNA1H (0.43) PDE4ACA1CA2CA9ALDH1A1
SCHEMBL14446691 0.80 CA1 (0.39) CA1CA2CA9ALDH1A1CYP2C9
SCHEMBL25563738 0.80 CA1 (0.39) PDE4ACA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 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 (3 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-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB PDE4A 412/4885PDE4B 553/4885PDE4C 311/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PDE4A 412/4885PDE4B 553/4885PDE4C 311/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB PDE4A 412/4885PDE4B 553/4885PDE4C 311/4885

“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.