SCHEMBL4665102

SCHEMBL4665102

COc1cc(CC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.40
FPR1 P21462 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4666710 0.85 POLB (0.46) ALDH1A1TSHRSMN1; SMN2NPSR1POLB
SCHEMBL4664954 0.84 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2NPSR1FPR1
SCHEMBL4664948 0.84 MAPK1 (0.47) ALDH1A1KDM4EKMT2AFPR1MAPT
SCHEMBL4664956 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AFPR1CYP2C9
SCHEMBL4664899 0.84 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2NPSR1KDM4E
SCHEMBL4663356 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL4666623 0.84 FKBP1A (0.49) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4664737 0.83 CYP1A2 (0.42) ALDH1A1TSHRKDM4EPOLBKMT2A
SCHEMBL4666777 0.80 MAPK1 (0.46) ALDH1A1KDM4EPOLBKMT2AFPR1
SCHEMBL4664798 0.78 KDM4E (0.54) ALDH1A1TSHRSMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
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
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 ALDH1A1 2826/4885TSHR 412/4885SMN1; SMN2 1277/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885TSHR 412/4885SMN1; SMN2 1277/4885

“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.