SCHEMBL18999984

SCHEMBL18999984

COc1ccc(C(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
CYP2D6 P10635 2/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL547821 0.84 CA1 (0.38) CA1CA2CA7CA9TSHR
SCHEMBL487531 0.83 CA1 (0.42) CA1CA2CA7CA9KDM4E
SCHEMBL27956086 0.81 GAA (0.42) CA1CA2CA7CA9KDM4E
SCHEMBL51043 0.80 CA1 (0.40) CA1CA2CA7CA9TSHR
SCHEMBL8988331 0.80 CA1 (0.36) CA1CA2CA7CA9POLB
SCHEMBL706143 0.80 CA1 (0.36) CA1CA2CA7CA9
SCHEMBL7816151 0.80 KDM4E (0.47) CA1CA2CA7CA9KDM4E
SCHEMBL1292825 0.80 GABRA1 (0.41) CA1CA2CA7CA9TSHR
SCHEMBL17666836 0.78 CA1 (0.35) CA1CA2CA7CA9
SCHEMBL17586758 0.76 KDM4E (0.37) CA1CA2CA7CA9KDM4E

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-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4839/4885CA2 4498/4885CA7 3839/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4839/4885CA2 4498/4885CA7 3839/4885

“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.