SCHEMBL4462432

SCHEMBL4462432

CCOC(=O)CC1(Nc2cc(C)c(OC)c(C)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL4472618 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ETAS1R3TAS1R1
SCHEMBL22338084 0.71 GAA (0.45) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL8818183 0.68 KMT2A (0.42) ALDH1A1KMT2AKDM4EGAA
SCHEMBL15461455 0.68 GAA (0.42) ALDH1A1KMT2AMEN1KDM4ECTDSP1
SCHEMBL1187191 0.66 ADRB2 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL16269141 0.64 GAA (0.45) ALDH1A1KMT2AKDM4EPKMCTDSP1
SCHEMBL30140982 0.64 GAA (0.48) ALDH1A1KMT2AMEN1CYP1A2GAA
SCHEMBL15461446 0.64 GAA (0.43) ALDH1A1KMT2AKDM4ECTDSP1CYP1A2
SCHEMBL16276954 0.63 GAA (0.39) ALDH1A1KMT2AMEN1KDM4ECTDSP1
SCHEMBL1549923 0.63 NLRP3 (0.48) ALDH1A1KDM4ENLRP3CYP1A2CYP2C19

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 ALDH1A1 169/4885KMT2A 3967/4885MEN1 4420/4885

“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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