SCHEMBL5194752

SCHEMBL5194752

CC(C)(C)[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.47
CDC25B P30305 1/20 0.37
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5194764 1.00 LIPA (0.47) LIPACDC25BEPHX1HSD11B1ESR1
SCHEMBL10888768 1.00 LIPA (0.47) LIPACDC25BEPHX1HSD11B1ESR1
SCHEMBL9815832 0.86 ESR1 (0.35) LIPAESR1ESR2CYP3A4CYP2C9
SCHEMBL14217165 0.85 LIPA (0.40) LIPACDC25BEPHX1HSD11B1NR1H2
SCHEMBL18721001 0.85 LIPA (0.40) LIPACDC25BEPHX1HSD11B1NR1H2
SCHEMBL18720992 0.85 LIPA (0.40) LIPACDC25BEPHX1HSD11B1NR1H2
SCHEMBL13766715 0.85 LIPA (0.40) LIPACDC25BEPHX1HSD11B1NR1H2
SCHEMBL9815771 0.84 ESR1 (0.34) LIPAESR1ESR2CYP3A4CYP2C9
SCHEMBL1958414 0.82 CES2 (0.38) LIPAESR1ESR2CYP3A4CYP2C9
SCHEMBL1958415 0.82 CES2 (0.38) LIPAESR1ESR2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072637-A1 OXYGENATED HETEROCYCLIC LSD-1 INHIBITORS AND RELATED METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-04-03 WO disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
US-20170151138-A1 METHOD FOR REDUCING PERSPIRATION AND/OR BODY ODOR USING SPECIFIC ALCOHOLS HENKEL AG & CO. KGAA (DE) 2017-06-01 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
EP-0077550-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-07-10 EP disclosed
US-4485116-A NAPHTHOQUINONE COMPOUNDS BURROUGHS WELLCOME CO. 1984-11-27 US disclosed
EP-0077550-A2 1.4-Naphthoquinones, methods for their preparation and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP 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 (4 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 LIPA 247/4885CDC25B 1684/4885EPHX1 1557/4885
US-20170151138-A1 METHOD FOR REDUCING PERSPIRATION AND/OR BODY ODOR USING SPECIFIC ALCOHOLS ADH1A, ADH1C, CUTA LIPA 450/4885CDC25B 811/4885EPHX1 547/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 LIPA 4289/4885CDC25B 1010/4885EPHX1 2023/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 LIPA 4289/4885CDC25B 1010/4885EPHX1 2023/4885

“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.