SCHEMBL21706786

SCHEMBL21706786

COC(=O)C[C@H]1CC[C@H](CNC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.35
EPHX2 P34913 3/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.32
TSHR P16473 1/20 0.32
SAT1 P21673 1/20 0.32

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
SCHEMBL20780295 0.86 BRD4 (0.41) BRD4L3MBTL1TDP1HTTCYP3A4
SCHEMBL21706789 0.85 KMT2A (0.40) L3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL24197361 0.82 BRD4 (0.50) BRD4L3MBTL1TDP1EPHX2CYP3A4
SCHEMBL2036054 0.82
SCHEMBL26647720 0.82 BRD4 (0.50) BRD4L3MBTL1TDP1EPHX2CYP3A4
Ammonia Solution, Strong SCHEMBL27687914 0.80
SCHEMBL21135328 0.80 TDP1 (0.44) TDP1EPHX2SIGMAR1KMT2ATSHR
SCHEMBL20794428 0.79 BRD4 (0.42) BRD4L3MBTL1TDP1EPHX2HSD17B10
SCHEMBL20794430 0.79 SAT1 (0.47) BRD4L3MBTL1TDP1EPHX2CYP3A4
SCHEMBL868953 0.78 BRD4 (0.47) BRD4L3MBTL1TDP1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 BRD4 1835/4885L3MBTL1 4811/4885TDP1 3903/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 BRD4 1843/4885L3MBTL1 3348/4885TDP1 1557/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 BRD4 1843/4885L3MBTL1 3348/4885TDP1 1557/4885

“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.