SCHEMBL4468647

SCHEMBL4468647

Cc1c(O)c(CCc2ccc3ccccc3n2)c(C)c2c1CCC1(CCC1)O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 8/20 0.37
ACHE P22303 8/20 0.37
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PDE10A Q9Y233 6/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL13756700 0.92 BCHE (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4469890 0.77 CYSLTR1 (0.42) PDE10A
SCHEMBL4462592 0.76 KDM4E (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4462587 0.76 KDM4E (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4470237 0.76 KDM4E (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4467484 0.72 MAPT (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4464106 0.71 KDM4E (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4479078 0.69 PDE10A (0.34) ALDH1A1PDE10AKDM4ECYP1A2CYP3A4
SCHEMBL4471043 0.68 CYP3A4 (0.58) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4464819 0.67 LMNA (0.56) MEN1KMT2AMAPTCYP2C9CYP2C19

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 6 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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 MEN1 4420/4885KMT2A 3967/4885MAPT 4822/4885

“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.