SCHEMBL22278922

SCHEMBL22278922

OC1CC(C2CC(O)C(O)C2)CC1O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
MAN1B1 Q9UKM7 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
SCHEMBL1985004 0.84
SCHEMBL12035115 0.84
SCHEMBL450125 0.84
SCHEMBL24844731 0.79 ALDH1A1 (0.50)
SCHEMBL9268731 0.78 MAN1B1 (0.36) CYP2C9MAN1B1
SCHEMBL18710271 0.78 MAN1B1 (0.36) CYP2C9MAN1B1
SCHEMBL338223 0.78 MAN1B1 (0.36) CYP2C9MAN1B1
SCHEMBL21388382 0.78 MAN1B1 (0.36) CYP2C9MAN1B1
Ammonia Solution, Strong SCHEMBL7958969 0.78
SCHEMBL21098299 0.76 CYP2C9 (0.33) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192918-B2 Multicyclic peptides and methods for their preparation STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2021-12-07 US disclosed
US-20200239516-A1 Multicyclic Peptides and Methods for Their Preparation UNIVERSITEIT VAN AMSTERDAM (NL) 2020-07-30 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 (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-20200239516-A1 Multicyclic Peptides and Methods for Their Preparation VIP, NGLY1, PTMS CYP2C9 4798/4885MAN1B1 1224/4885
US-11192918-B2 Multicyclic peptides and methods for their preparation VIP, NGLY1, PTMS CYP2C9 4798/4885MAN1B1 1224/4885

“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.