SCHEMBL16100100

SCHEMBL16100100

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)c(C=O)nn2C1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
RET P07949 3/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
ATR Q13535 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16100099 1.00 RXRA (0.33) RXRARXRBRXRGCA12CA1
SCHEMBL298676 0.85 CYP4F2 (0.36) RXRARXRBRXRGCA12CA1
SCHEMBL16100337 0.85 CYP4F2 (0.36) RXRARXRBRXRGCA12CA1
SCHEMBL23611666 0.84
SCHEMBL23611664 0.84
SCHEMBL16100139 0.83 RXRA (0.37) RXRARXRBRXRGCA12CA1
SCHEMBL16100137 0.83 RXRA (0.37) RXRARXRBRXRGCA12CA1
SCHEMBL26741104 0.83 RXRA (0.35) RXRARXRBRXRGCA12CA1
SCHEMBL29925580 0.83 RXRA (0.35) RXRARXRBRXRGCA12CA1
SCHEMBL25619321 0.82 POLB (0.37) RXRARXRBRXRGRETCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043844-B TRK kinase inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2024-05-17 CN disclosed
CN-115043844-A TRK kinase inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2022-09-13 CN disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 US disclosed
US-9943504-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2018-04-17 US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO 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-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 RXRA 2291/4885RXRB 1815/4885RXRG 1636/4885

“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.