SCHEMBL3268638

SCHEMBL3268638

C=CCc1cccc2c(=O)c3ccccc3oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAOA P21397 7/20 0.54
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
PTGS2 P35354 1/20 0.48
AURKA O14965 1/20 0.46

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
SCHEMBL16500808 0.87 ALOX5 (0.50) KDM4ECYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL9380709 0.82 TTR (0.49) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL10999959 0.81 KDM4E (0.65) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL13395979 0.81 KDM4E (0.65) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL15663291 0.80 KDM4E (0.59) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL8714340 0.80 KDM4E (0.59) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL10868147 0.79 PTGS2 (0.49) KDM4EMAOACYP19A1CYP11B1CYP11B2
SCHEMBL9834724 0.77 PTGS2 (0.61) KDM4EMAOAALDH1A1GLACYP3A4
SCHEMBL13395992 0.77 GLA (0.64) KDM4EALDH1A1GLACYP3A4HPGD
SCHEMBL18243048 0.77 KDM4E (0.64) KDM4EMAOACYP19A1CYP11B1CYP11B2

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
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP claimed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 EP claimed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 US disclosed
EP-2196463-A1 PREPARATION OF 5,6-DIMETHYLXANTHONE-4-ACETIC ACID, THE DERIVATIVES PREPARED AND PHARMACEUTICAL FORMULATIONS THEREOF Wuhan Grand Pharmaceutical Group Co., Ltd (CN) 2010-06-16 EP disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US disclosed
EP-0278176-B1 Compounds having antitumour and antibacterial properties WARNER LAMBERT CO (US) 1994-03-09 EP disclosed
US-5281620-A Alkyl substituted xanthenone-4-acetic acid CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-01-25 US disclosed
EP-0278176-A2 Compounds having antitumour and antibacterial properties WARNER-LAMBERT COMPANY (US) 1988-08-17 EP 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-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME HCAR2, HAO2, HK2 KDM4E 2330/4885MAOA 131/4885CYP19A1 136/4885

“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.