SCHEMBL22310682

SCHEMBL22310682

CC1(NC(=O)O)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
FFAR3 O14843 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CD38 P28907 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GABRA1 P14867 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
SCHEMBL22287002 0.87 LMNA (0.33) LMNAALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL25187572 0.87 LMNA (0.33) LMNAALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL25187762 0.87 LMNA (0.33) LMNAALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL2694749 0.83
SCHEMBL12409412 0.82 ALDH1A1 (0.40) LMNAALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL21427857 0.80 ALDH1A1 (0.33) LMNAALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL22310672 0.78 FFAR3 (0.38) ALDH1A1CYP2C19TSHRFFAR3NPSR1
SCHEMBL1694491 0.78
SCHEMBL23343876 0.77 ANO1 (0.40) LMNAALDH1A1CYP2C9CYP3A4L3MBTL1
SCHEMBL21427821 0.77 ALDH1A1 (0.32) ALDH1A1CYP2C9CYP2C19CYP3A4PKM

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-11773082-B2 CDK2 inhibitors PFIZER INC. (US) 2023-10-03 US disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
WO-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 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 (2 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 LMNA 1383/4885ALDH1A1 216/4885CYP2C9 2049/4885
US-11773082-B2 CDK2 inhibitors CDK2, CDK1, CCNI LMNA 1764/4885ALDH1A1 2447/4885CYP2C9 1672/4885

“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.