SCHEMBL17810080

SCHEMBL17810080

CC(C)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8677464 0.87 LMNA (0.45) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL10029828 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL16386569 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL17986991 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL1104869 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL18070181 0.82 PTGS2 (0.47) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL19473595 0.81 ESR2 (0.42) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL17987001 0.80 ALDH1A1 (0.48) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL22648642 0.80 ALDH1A1 (0.48) RXRARXRBRXRGPTGS2CYP1A2
SCHEMBL17986990 0.80 ALDH1A1 (0.48) RXRARXRBRXRGPTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160163998-A1 ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-09 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 (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-20160163998-A1 ORGANIC ELECTROLUMINESCENCE EML4, ODC1, NDC1 RXRA 4192/4885RXRB 4395/4885RXRG 4362/4885

“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.