SCHEMBL4465848

SCHEMBL4465848

COc1c(C)cc(NCC2(C(=O)O)CCC2)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ THRB P10828 2/20 0.31
▸ THRA P10827 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PKM P14618 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
SCHEMBL4477154 0.86 ALDH1A1 (0.35) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4464655 0.81 BRD4 (0.37) ALDH1A1L3MBTL1BRD4MEN1KMT2A
SCHEMBL12987305 0.70 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2A
SCHEMBL4474247 0.68 KMT2A (0.38) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL7089136 0.64 HSD17B10 (0.46) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL11928780 0.63 KDM4E (0.41) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL4303369 0.63 HSD17B10 (0.44) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL14749775 0.62 DGAT1 (0.40) ALDH1A1L3MBTL1BRD4DGAT1MEN1
SCHEMBL4472618 0.62 ALDH1A1 (0.50) TP53ALDH1A1L3MBTL1TAS1R3TAS1R1
SCHEMBL8946556 0.62 ALDH1A1 (0.37) ALDH1A1POLBRAB9AMEN1KMT2A

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 TP53 3095/4885ALDH1A1 169/4885L3MBTL1 2776/4885

“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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