SCHEMBL5124787

SCHEMBL5124787

COc1cccc(-c2cc3cccc(C(=O)O)c3o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1B1 Q16678 2/20 0.53
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
VDR P11473 1/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
MAOB P27338 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL10551657 0.88 NTRK1 (0.57) GPR35ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL8807539 0.84 CYSLTR1 (0.69) GPR35ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL8155546 0.83 MAOA (0.58) ALDH1A1HPGDCYSLTR1MAOBKDM4E
Hydrochloric Acid SCHEMBL10993975 0.83 CYSLTR1 (0.67) GPR35ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL9367517 0.81 HDAC3 (0.47) GPR35ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL381400 0.80 ALDH1A1 (0.64) GPR35ALDH1A1HPGDHDAC3HDAC1
SCHEMBL5123750 0.80 MCL1 (0.52) ALDH1A1HPGDCYSLTR1MAOBKDM4E
SCHEMBL29742792 0.80 ALDH1A1 (0.64) GPR35ALDH1A1HPGDHDAC3HDAC1
SCHEMBL5124786 0.78 ALDH1A1 (0.49) GPR35ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL10546844 0.78 ERAP1 (0.53) CYSLTR1MAOBKMT2A

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 GPR35 3330/4885ALDH1A1 2612/4885HPGD 3380/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 GPR35 3058/4885ALDH1A1 869/4885HPGD 1726/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A GPR35 3555/4885ALDH1A1 2554/4885HPGD 3643/4885

“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.