SCHEMBL30121095

SCHEMBL30121095

COC(=O)c1cc(OC)cc(CSCc2cc(OC)cc(C(=O)OC)c2OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 4/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.36
NR4A2 P43354 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
POLK Q9UBT6 1/20 0.36

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
SCHEMBL23796414 1.00 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796710 0.87 KDM4E (0.39) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30032799 0.87 KDM4E (0.39) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30031965 0.86 HSD17B10 (0.42) KDM4ECYP1A2POLBALDH1A1HPGD
SCHEMBL23796344 0.86 HSD17B10 (0.42) KDM4ECYP1A2POLBALDH1A1HPGD
SCHEMBL23796582 0.84 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30032015 0.84 KDM4E (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796499 0.83 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23796848 0.83 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30030799 0.83 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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
EP-4118069-B1 PARA-HYDROQUINONE DERIVATIVES AS VEGF, TNF AND/OR IL INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATORY DISEASES OM PHARMA SA (CH) 2024-10-23 EP disclosed
US-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM PHARMA SA (CH) 2023-05-18 US disclosed
EP-4118069-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM Pharma SA (CH) 2023-01-18 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-20230150951-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS HRH4, NCOA4, HRH3 KDM4E 3269/4885CYP1A2 1311/4885CYP2D6 1085/4885

“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.