SCHEMBL10025813

SCHEMBL10025813

CCC(C)COc1cc2ccc3ccccc3c3c4ccccc4c(c4ccccc4ccc2cc1OCC(C)CC)c1ccccc13

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.53
▸ MCHR1 Q99705 1/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.45
▸ TSHR P16473 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR2E1 Q9Y466 5/20 0.40
▸ CYP2D6 P10635 4/20 0.38
▸ ADRB2 P07550 4/20 0.38
▸ ADRB1 P08588 4/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ADRB3 P13945 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR6 P50406 3/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ SLC10A1 Q14973 2/20 0.38

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
SCHEMBL12303142 0.78 TLR8 (0.55) TLR8MCHR1GPBAR1TSHRL3MBTL1
SCHEMBL14113223 0.74 GPBAR1 (0.58) TLR8MCHR1GPBAR1CYP1A2MAPK1
SCHEMBL15796968 0.73 TLR8 (0.49) TLR8MCHR1GPBAR1TSHRL3MBTL1
SCHEMBL5649980 0.73 TLR8 (0.54) TLR8MCHR1GPBAR1TSHRL3MBTL1
SCHEMBL13324375 0.72 TLR8 (0.43) TLR8MCHR1GPBAR1TSHRL3MBTL1
SCHEMBL16836311 0.70 TLR8 (1.00) TLR8MCHR1GPBAR1ALDH1A1KDM4E
SCHEMBL16836307 0.70 TLR8 (1.00) TLR8MCHR1GPBAR1ALDH1A1KDM4E
SCHEMBL3818602 0.69 TLR8 (0.58) TLR8L3MBTL1CYP2D6CYP1A2ALDH1A1
SCHEMBL10025804 0.69 AGXT (0.45) CYP1A2MAPK1ALOX5TDP1KDM4E
SCHEMBL10349822 0.69 TLR8 (0.50) TLR8MCHR1GPBAR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 — — US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 — — US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 — — US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 — — 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR TLR8 3674/4885MCHR1 3631/4885GPBAR1 4734/4885

“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.

Send feedback