SCHEMBL5847341

SCHEMBL5847341

COC(=O)[C@@H]1Cc2cc(CN)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
GLS O94925 4/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR1 O14842 2/20 0.36
TP53 P04637 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL6529189 1.00 CYP4F2 (0.45) CYP4F2CYP4A11POLBAPEX1RECQL
Hydrochloric Acid SCHEMBL5847338 0.99 CYP4F2 (0.44) CYP4F2CYP4A11POLBAPEX1RECQL
Hydrochloric Acid SCHEMBL6529187 0.99 CYP4F2 (0.44) CYP4F2CYP4A11POLBAPEX1RECQL
Hydrochloric Acid SCHEMBL5847334 0.99 CYP4F2 (0.44) CYP4F2CYP4A11POLBAPEX1RECQL
SCHEMBL5847508 0.87 CYP4F2 (0.61) CYP4F2CYP4A11LOXL2ITGB3ITGA2B
SCHEMBL6529352 0.87 CYP4F2 (0.61) CYP4F2CYP4A11LOXL2ITGB3ITGA2B
SCHEMBL12963751 0.86 CYP4F2 (0.45) CYP4F2CYP4A11POLBAPEX1RECQL
Hydrochloric Acid SCHEMBL5847504 0.86 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6529351 0.86 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5847506 0.86 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2ITGB3ITGA2B

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 CYP4F2 367/4885CYP4A11 742/4885POLB 852/4885

“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.