SCHEMBL21051968

SCHEMBL21051968

Oc1c(F)ccc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
CES1 P23141 3/20 0.40
NQO1 P15559 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTRC Q99895 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PARP1 P09874 1/20 0.35
METAP2 P50579 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL24133294 0.96 BCL2L1 (0.42) BCL2L1BADCES1NQO1L3MBTL1
SCHEMBL1249690 0.77 CES1 (0.42) BCL2L1BADCES1L3MBTL1HTR2A
SCHEMBL3797823 0.77 BCL2L1 (0.56) BCL2L1BADNQO1CTRCGRIA1
SCHEMBL1046490 0.77 BCL2L1 (0.50) BCL2L1BADCES1NQO1CTRC
SCHEMBL4756408 0.76 CES1 (0.41) BCL2L1BADCES1L3MBTL1HTR2A
SCHEMBL1660189 0.76 BCL2L1 (0.48) BCL2L1BADCES1NQO1CTRC
SCHEMBL5768853 0.74 BCL2L1 (0.47) BCL2L1BADCES1NQO1CTRC
SCHEMBL15054072 0.74 BCL2L1 (0.52) BCL2L1BADCES1NQO1L3MBTL1
SCHEMBL14354818 0.74 BCL2L1 (0.47) BCL2L1BADCES1NQO1L3MBTL1
SCHEMBL1535927 0.73 BCL2L1 (0.50) BCL2L1BAD

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
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
EP-4310077-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF Medshine Discovery Inc. (CN) 2024-01-24 EP disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
EP-3720842-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute For Cancer Research (CA) 2020-10-14 EP disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 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-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF CYP3A43, CYP11B2, UGT2B7 BCL2L1 3207/4885BAD 579/4885CES1 1342/4885
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 BCL2L1 4528/4885BAD 3923/4885CES1 998/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 BCL2L1 4245/4885BAD 3685/4885CES1 832/4885

“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.