SCHEMBL23940968

SCHEMBL23940968

CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](CSSCCC(=O)O)C(=O)O)C3=O)C[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.33
APP P05067 2/20 0.33
PTPN1 P18031 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
BACE1 P56817 1/20 0.32
PTGES O14684 1/20 0.32
ICMT O60725 1/20 0.31
MET P08581 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
SCHEMBL22863382 1.00 ALOX5 (0.33) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL13663949 0.96 ALOX5 (0.35) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL9880201 0.93 ALOX5 (0.38) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL30075067 0.90 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29425557 0.89 ALOX5 (0.36) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL22863220 0.88 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL31689053 0.88 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29584654 0.88 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL29403709 0.88 ALOX5 (0.37) ALOX5APPPTPN1NR1H4BACE1
SCHEMBL24827775 0.87 ALOX5 (0.38) ALOX5APPPTPN1NR1H4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322381-A1 DRUG FOR TREATMENT OR PREVENTION OF BLOOD CEREBRAL HEMORRHAGE, AND METHOD FOR TREATING OR PREVENTING CEREBRAL HEMORRHAGE USING THE DRUG CORXEL PHARMACEUTICALS HONG KONG LIMITED (CN) 2021-10-21 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 (1 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-20210322381-A1 DRUG FOR TREATMENT OR PREVENTION OF BLOOD CEREBRAL HEMORRHAGE, AND METHOD FOR TREATING OR PREVENTING CEREBRAL HEMORRHAGE USING THE DRUG PROC, FABP7, TIMP3 ALOX5 400/4885APP 767/4885PTPN1 4307/4885

“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.