SCHEMBL5847432

SCHEMBL5847432

O=C(O)[C@@H]1CCCc2cc(Cl)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GLS O94925 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37

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
SCHEMBL5847427 1.00 POLB (0.46) POLBGLSMEN1KMT2AALDH1A1
SCHEMBL5847430 1.00 POLB (0.46) POLBGLSMEN1KMT2AALDH1A1
SCHEMBL5847887 0.91 POLB (0.48) POLBGLSMEN1KMT2ACYP4F2
SCHEMBL5847882 0.91 POLB (0.48) POLBGLSMEN1KMT2ACYP4F2
SCHEMBL5847886 0.91 POLB (0.48) POLBGLSMEN1KMT2ACYP4F2
Hydrochloric Acid SCHEMBL11471350 0.90 POLB (0.47) POLBGLSMEN1KMT2ACYP4F2
SCHEMBL22798882 0.82 GLS (0.42) GLSALDH1A1SRD5A1SRD5A2CYP4F2
SCHEMBL9780507 0.81 MEN1 (0.54) POLBGLSMEN1KMT2ATSHR
SCHEMBL30873618 0.81 MEN1 (0.54) POLBGLSMEN1KMT2ATSHR
SCHEMBL5910335 0.81 MEN1 (0.54) POLBGLSMEN1KMT2ATSHR

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 3 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
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO 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 POLB 852/4885GLS 14/4885MEN1 2463/4885

“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.