SCHEMBL4922900

SCHEMBL4922900

CC(C)c1ccc(C(C)(C)C=CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
KIF11 P52732 1/20 0.38
PTPN5 P54829 1/20 0.38
EGFR P00533 1/20 0.38
USP5 P45974 1/20 0.38
TYR P14679 2/20 0.37
ACE P12821 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL28288945 0.80 HDAC3 (0.47) MAPK1CYP2D6HIF1AEGFRHCAR2
SCHEMBL4925193 0.79 MEN1 (0.42) MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL153243 0.75 TYR (0.52) KDM4EMAPK1CYP2C9CYP2D6HIF1A
SCHEMBL13278918 0.72 HSD17B10 (0.50) KDM4EMAPK1CYP2C9HIF1ASMN1; SMN2
SCHEMBL13278916 0.72 HSD17B10 (0.50) KDM4EMAPK1CYP2C9HIF1ASMN1; SMN2
SCHEMBL10169451 0.72 CYP2C9 (0.66) KDM4EMAPK1CYP2C9CYP2D6HIF1A
Hydrogen Peroxide SCHEMBL28795529 0.71 CYP2C9 (0.57) KDM4EMAPK1CYP2C9CYP2D6HIF1A
Hydrogen Peroxide SCHEMBL2387288 0.71 CYP2C9 (0.57) KDM4EMAPK1CYP2C9CYP2D6HIF1A
SCHEMBL10426785 0.71 CYP2C9 (0.69) KDM4EMAPK1CYP2C9CYP2D6HIF1A
SCHEMBL819055 0.71 KDM4E (1.00) KDM4EMAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885MAPK1 1115/4885CYP2C9 184/4885

“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.