SCHEMBL15744013

SCHEMBL15744013

COc1cc(OC)cc([C@H]2OC(=O)N(C)[C@H]2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
FADS1 O60427 5/20 0.34
LMNA P02545 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TLR4 O00206 1/20 0.33
CYP3A4 P08684 2/20 0.33
GRM2 Q14416 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 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
SCHEMBL15744005 0.86 CYP3A4 (0.47) CYP19A1ALDH1A1KDM4EFADS1LMNA
SCHEMBL13394867 0.80 CYP19A1 (0.35) CYP19A1ALDH1A1KDM4EFADS1LMNA
SCHEMBL13413280 0.80 PTGDR2 (0.40) CYP19A1PTGDR2
SCHEMBL20794044 0.80 CYP19A1 (0.35) CYP19A1ALDH1A1KDM4EFADS1LMNA
SCHEMBL15744029 0.78 FADS1 (0.41) ALDH1A1FADS1GRM2
SCHEMBL20794237 0.78 FADS1 (0.41) ALDH1A1FADS1GRM2
SCHEMBL15743991 0.78 FADS1 (0.41) ALDH1A1FADS1GRM2
SCHEMBL15743948 0.77 FADS1 (0.44) CYP19A1FADS1PTGDR2
SCHEMBL15743996 0.75 FADS1 (0.37) FADS1PTGDR2
SCHEMBL5298515 0.74 TSHR (0.44) FADS1PTGDR2MEN1KMT2A

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 6 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
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP CYP19A1 543/4885ALDH1A1 3887/4885KDM4E 1437/4885
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 CYP19A1 4297/4885ALDH1A1 3985/4885KDM4E 3516/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CYP19A1 1578/4885ALDH1A1 1235/4885KDM4E 3817/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CYP19A1 1578/4885ALDH1A1 1235/4885KDM4E 3817/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CYP19A1 1578/4885ALDH1A1 1235/4885KDM4E 3817/4885

“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.