SCHEMBL4664892

SCHEMBL4664892

O=C1O[C@@H](CCc2ccccc2)C(O)=C1C(=O)C1Cc2ccccc2CN1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
HDAC8 Q9BY41 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
GRIN2B Q13224 1/20 0.33
CXCR3 P49682 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL4664888 1.00 KMT2A (0.48) KMT2AMEN1HDAC8OPRM1OPRD1
SCHEMBL4664884 1.00 KMT2A (0.48) KMT2AMEN1HDAC8OPRM1OPRD1
SCHEMBL4666618 0.80 ELANE (0.43) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4666616 0.80 ELANE (0.43) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4664824 0.79 ELANE (0.40) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4664827 0.79 ELANE (0.40) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4664830 0.79 ELANE (0.40) ALDH1A1KDM4EMAPTHIF1A
SCHEMBL4663001 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL4665057 0.75 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL4662921 0.73 ALDH1A1 (0.42) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 KMT2A 3781/4885MEN1 1292/4885HDAC8 1085/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 KMT2A 3781/4885MEN1 1292/4885HDAC8 1085/4885

“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.