SCHEMBL4467332

SCHEMBL4467332

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
AKT1 P31749 1/20 0.31

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
SCHEMBL6029676 0.69 HTR2A (0.43) ALDH1A1CYP3A4MAPT
SCHEMBL4469308 0.69 KDM4E (0.35) ALDH1A1RAB9APDE3BPDE3A
SCHEMBL4482465 0.68 HTR2A (0.32)
SCHEMBL4462865 0.67 ALDH1A1 (0.32) ALDH1A1MITFMAPK1AKT1
SCHEMBL4468214 0.64 KDM4E (0.32) ALDH1A1
SCHEMBL4466453 0.64 CNR1 (0.32) ALDH1A1
SCHEMBL6028965 0.64 KMT2A (0.42) ALDH1A1PDE3BPDE3AMAPK1CYP3A4
SCHEMBL25647589 0.58 HTR2A (0.31)
SCHEMBL3070529 0.58 L3MBTL1 (0.48) ALDH1A1PDE3BPDE3A
SCHEMBL16071623 0.58 ACHE (0.52) ALDH1A1PDE3BPDE3ACYP3A4MAPT

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 disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
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 ALDH1A1 169/4885RAB9A 3169/4885PDE3B 867/4885

“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.