SCHEMBL8385229

SCHEMBL8385229

BCc1cc(OC)ccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR4A2 P43354 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL11070204 0.86 KDM4E (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7921525 0.85 KDM4E (0.57) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL896633 0.83 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7849332 0.83 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21464329 0.82 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13212733 0.81 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21477173 0.81 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28819764 0.81 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21464141 0.80 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1536586 0.80 KDM4E (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976849-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed
US-7683085-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-04-30 US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 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 (2 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-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 KDM4E 4460/4885CYP1A2 735/4885CYP2D6 867/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 KDM4E 4265/4885CYP1A2 1535/4885CYP2D6 1541/4885

“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.