SCHEMBL4475359

SCHEMBL4475359

Oc1ccc2c(c1)CCC1(CCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
ENTPD5 O75356 2/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CETP P11597 1/20 0.41
HRH3 Q9Y5N1 9/20 0.40
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL2348744 0.85 AKT1 (0.46) AKT1ENTPD5ESR1ESR2HRH3
SCHEMBL13005003 0.83 AKT1 (0.48) AKT1HRH3EPHX2
SCHEMBL13770573 0.82 CYP2D6 (0.41) HRH3EPHX2
SCHEMBL7787622 0.81 AKT1 (0.51) AKT1ENTPD5ESR1ESR2CETP
SCHEMBL13720817 0.81 CA2 (0.46) AKT1ESR1ESR2CYP3A4
SCHEMBL1468009 0.80 HRH3 (0.65) HRH3
SCHEMBL20612461 0.79 DRD2 (0.53) HRH3EPHX2
SCHEMBL2090589 0.79 HRH3 (0.38) HRH3
SCHEMBL3184205 0.79 AKT1 (0.56) AKT1ENTPD5ESR1ESR2CETP
SCHEMBL30513267 0.79 AKT1 (0.56) AKT1ENTPD5ESR1ESR2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US claimed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 AKT1 1241/4885ENTPD5 777/4885ESR1 2322/4885

“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.