SCHEMBL26996830

SCHEMBL26996830

C[C@H]1c2ccccc2C[C@H]1OCCOCCO[C@@H]1Cc2ccccc2[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
KDM1A O60341 4/20 0.35
OPRM1 P35372 5/20 0.35
DRD2 P14416 1/20 0.35
BIRC2 Q13490 1/20 0.35
NTRK1 P04629 1/20 0.33
CRHR1 P34998 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL22808526 0.87 HDAC3 (0.38) PRCPKDM1AOPRM1DRD2BIRC2
SCHEMBL26996981 0.87 HDAC3 (0.38) PRCPKDM1AOPRM1DRD2BIRC2
SCHEMBL23979191 0.85 CRHR1 (0.42) PRCPKDM1AOPRM1DRD2CRHR1
SCHEMBL1911351 0.83 CRHR1 (0.40) PRCPOPRM1DRD2CRHR1
SCHEMBL13948436 0.83 CRHR1 (0.40) PRCPOPRM1DRD2CRHR1
SCHEMBL16388970 0.83 CRHR1 (0.40) PRCPOPRM1DRD2CRHR1
SCHEMBL1911359 0.83 CRHR1 (0.40) PRCPOPRM1DRD2CRHR1
SCHEMBL22872971 0.83 CHRNB2 (0.36) PRCPKDM1AOPRM1DRD2NTRK1
SCHEMBL22808487 0.82 BIRC2 (0.36) KDM1ABIRC2NTRK1CRHR1
SCHEMBL24304296 0.80 IDO1 (0.35) PRCPKDM1AOPRM1DRD2BIRC2

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-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 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-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 PRCP 731/4885KDM1A 4469/4885OPRM1 1130/4885

“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.