SCHEMBL5111073

SCHEMBL5111073

COc1cc(CO)c2oc(-c3ccccc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
CYP3A4 P08684 3/20 0.44
ABCB1 P08183 2/20 0.44
NPC1 O15118 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 3/20 0.42

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
SCHEMBL3927970 0.90 ALDH1A1 (0.48) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL3924860 0.80 ESR1 (0.51) ABCG2ABCB1NPC1ALDH1A1HPGD
SCHEMBL1428881 0.80 ESR1 (0.56) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL14266211 0.80 MAOB (0.59) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL3224946 0.78 PTGER1 (0.55) NPC1MAOAMAOBRAB9AESR1
SCHEMBL5124786 0.78 ALDH1A1 (0.49) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL5117226 0.78 L3MBTL1 (0.44) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL3923936 0.77 EGFR (0.51) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL8677842 0.76 MAOA (0.58) MAPTABCG2CYP3A4ABCB1NPC1
SCHEMBL3927806 0.76 EGFR (0.46) MAPTABCG2CYP3A4ABCB1NPC1

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-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 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 (3 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C MAPT 65/4885ABCG2 3578/4885CYP3A4 4448/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 MAPT 3710/4885ABCG2 805/4885CYP3A4 1469/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A MAPT 86/4885ABCG2 3184/4885CYP3A4 4219/4885

“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.