SCHEMBL4469308

SCHEMBL4469308

COc1cc2c(c(C)c1C)NCC1(CCC1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 1/20 0.33
PDE4A P27815 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
POLB P06746 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL4460002 0.75 MAPKAPK2 (0.32) MAPKAPK2
SCHEMBL4467332 0.69 ALDH1A1 (0.34) PDE3BPDE3AALDH1A1RAB9A
SCHEMBL3070529 0.66 L3MBTL1 (0.48) KDM4ECA1CA2CA7CA9
SCHEMBL4482465 0.66 HTR2A (0.32)
SCHEMBL4473145 0.65 DOCK5 (0.34) KDM4EALDH1A1RAB9AMALT1POLB
SCHEMBL16163155 0.63 PDE7A (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL6028965 0.62 KMT2A (0.42) KDM4EPDE3BPDE3AALDH1A1TDP1
SCHEMBL5260675 0.60 KDM4E (0.37) KDM4EALDH1A1POLBTDP1LMNA
SCHEMBL16170251 0.59 PDE7A (0.39) ALDH1A1RAB9APOLBLMNA
SCHEMBL11814298 0.59 ALDH1A1 (0.36) CA1CA2CA7CA9PDE3B

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 4 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 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 KDM4E 3310/4885MAPKAPK2 2294/4885CA1 4829/4885

“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.