SCHEMBL5908059

SCHEMBL5908059

CC(C)CNC[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
ANPEP P15144 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
TYMP P19971 1/20 0.33
UPP1 Q16831 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
SCHEMBL4935953 1.00 LMNA (0.40) LMNATSHRANPEPALDH1A1TDP1
SCHEMBL21691058 0.90 ALDH1A1 (0.36) LMNATSHRANPEPALDH1A1TDP1
SCHEMBL12575017 0.86 ANPEP (0.44) TSHRANPEPTDP1ADH1BADH1C
SCHEMBL2232621 0.86 LMNA (0.53) LMNAALDH1A1TDP1KDM4ETHRB
SCHEMBL15540151 0.84 TDP1 (0.45) LMNATSHRALDH1A1TDP1KDM4E
Propylene Glycol SCHEMBL17512354 0.83 TDP1 (0.59) LMNATSHRANPEPALDH1A1TDP1
Hydrochloric Acid SCHEMBL7626501 0.83 LMNA (0.50) LMNAALDH1A1TDP1KDM4ETHRB
SCHEMBL3754712 0.83 LMNA (0.50) LMNAALDH1A1TDP1KDM4ETHRB
SCHEMBL11231989 0.80 LMNA (0.36) LMNATSHRANPEPALDH1A1TDP1
SCHEMBL7054364 0.79 ANPEP (0.40) TSHRANPEPALDH1A1ADH1BADH1C

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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 US disclosed
WO-2020185999-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-09-17 WO disclosed
US-20060258652-A1 Beta-blockers having antioxidant and no-donor activity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-11-16 US disclosed
WO-2004047837-A2 BETA-BLOCKERS HAVING ANTIOXIDANT AND NITRIC OXIDE-DONOR ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-10 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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP LMNA 637/4885TSHR 2876/4885ANPEP 12/4885
US-20060258652-A1 Beta-blockers having antioxidant and no-donor activity ADRB1, ADRB2, ADRB3 LMNA 1973/4885TSHR 1133/4885ANPEP 2433/4885

“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.