SCHEMBL20765166

SCHEMBL20765166

Fc1c(Br)ccc2c1c(I)nn2C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
RET P07949 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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
SCHEMBL15265438 0.88 CYP4F2 (0.37) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL19204904 0.88 CYP4F2 (0.39) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL27074993 0.85 GAA (0.40) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL30713479 0.85 CYP4F2 (0.40) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL30713609 0.82 CYP4F2 (0.31) CYP4F2CYP4A11RET
SCHEMBL28484352 0.81 CYP4F2 (0.38) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL22160374 0.81 CYP4F2 (0.35) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL30300121 0.81 CYP4F2 (0.38) CYP4F2CYP4A11RETRXRARXRB
SCHEMBL31539796 0.81 CYP4F2 (0.35) CYP4F2CYP4A11RETALDH1A1POLB
SCHEMBL31484933 0.80 CYP4F2 (0.39) CYP4F2CYP4A11RETRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 US disclosed
CN-111032656-B Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2022-12-02 CN disclosed
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 US disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 US disclosed
EP-3672973-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-07-01 EP disclosed
CN-111032656-A Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2020-04-17 CN disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 WO disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 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 (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-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K20, MAP3K19, MAP3K1 CYP4F2 1915/4885CYP4A11 1071/4885RET 156/4885
US-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 CYP4F2 184/4885CYP4A11 38/4885RET 4606/4885
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K20, MAP3K19, MAP3K1 CYP4F2 1915/4885CYP4A11 1071/4885RET 156/4885

“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.