SCHEMBL4464655

SCHEMBL4464655

COc1ccc(NCC2(C(=O)O)CCC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL4474247 0.86 KMT2A (0.38) MEN1KMT2AALDH1A1PDE4BPDE4D
SCHEMBL4465848 0.81 TP53 (0.34) BRD4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL14749775 0.68 DGAT1 (0.40) BRD4MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12987305 0.68 ALDH1A1 (0.40) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL4778825 0.68 PDE4B (0.43) BRD4TSHRMEN1KMT2AALDH1A1
SCHEMBL4477154 0.68 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPT
SCHEMBL14750017 0.68 DGAT1 (0.39) MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL14999713 0.67 PDE4B (0.42) TSHRMEN1KMT2AALDH1A1PDE4B
SCHEMBL20482392 0.67 ALDH1A1 (0.51) TSHRCASP1MEN1KMT2AALDH1A1
SCHEMBL5409015 0.66 ALDH1A1 (0.59) TSHRAKR1C3AKR1C2MEN1KMT2A

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 BRD4 2657/4885TSHR 2301/4885CASP1 2340/4885

“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.

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