SCHEMBL3278350

SCHEMBL3278350

Cc1cccc(-c2c(Br)cccc2C(=O)O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ DHFR P00374 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 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
SCHEMBL6536484 0.81 ALDH1A1 (0.55) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL2027018 0.81 MYC (0.60) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3716970 0.79 MYC (0.61) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL604636 0.78 MYC (0.70) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL28069046 0.77 MYC (0.44) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9153954 0.76 MYC (0.58) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10789310 0.75 MYC (0.72) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL211283 0.75 TSHR (0.52) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29621571 0.75 TSHR (0.52) MYCALDH1A1HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL9457830 0.75 MYC (0.56) MYCALDH1A1HSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MYC 1780/4885ALDH1A1 1863/4885HSD17B10 146/4885

“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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