SCHEMBL6326971

SCHEMBL6326971

CCOC(=O)CCC1CC1c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
KIF11 P52732 5/20 0.46
POLB P06746 1/20 0.45
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM1A O60341 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6319831 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BPOLBKDM1A
SCHEMBL6318787 0.84 ALDH1A1 (0.43) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL25456800 0.79 KIF11 (0.49) HTR2AHTR2CHTR2BKIF11POLB
SCHEMBL4773039 0.79 KIF11 (0.49) HTR2AHTR2CHTR2BKIF11POLB
SCHEMBL27493841 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BKIF11POLB
SCHEMBL6325209 0.76 HTR2C (0.51) HTR2CKDM1AKDM4EALDH1A1HPGD
SCHEMBL22878804 0.75 HTR2A (0.59) HTR2AHTR2CHTR2BOPRM1OPRD1
SCHEMBL6324914 0.72 HTR2A (0.62) HTR2AHTR2CHTR2BKDM1A
SCHEMBL8098501 0.72 MTNR1B (0.52) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL8098503 0.72 MTNR1B (0.52) HTR2AHTR2CHTR2BKDM1ASLC6A4

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-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 HTR2A 2084/4885HTR2C 2450/4885HTR2B 1554/4885

“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.