SCHEMBL3044461

SCHEMBL3044461

O=C(CSc1ccccc1)OCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
EPHX1 P07099 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
FFAR1 O14842 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B1 P15121 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL23932603 0.80 MEN1 (0.52) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL2575317 0.78 TDP1 (0.59) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL8400366 0.77 EPHX1 (0.51) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL3041849 0.77 CDC25B (0.65) TDP1FFAR1MAPK1HSD17B10KMT2A
SCHEMBL23094276 0.77 L3MBTL1 (0.65) CYP1A2TDP1CYP3A4CYP2C19MEN1
SCHEMBL28702056 0.76 TDP1 (0.56) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL21372579 0.76 TDP1 (0.56) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL3048090 0.76 TDP1 (0.54) CYP1A2TDP1CYP3A4CYP2C19MEN1
SCHEMBL6677814 0.76 CDYL (0.63) CYP1A2TDP1EPHX1SLC1A3SLC1A2
SCHEMBL8927931 0.75 FFAR1 (0.61) CYP1A2TDP1EPHX1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647878-B2 Highly refractive immersion liquids and their use CARL ZEISS AG (DE) 2014-02-11 US disclosed
US-8647878-B2 Highly refractive immersion liquids and their use CARL ZEISS AG (DE) 2014-02-11 US disclosed
US-8647878-B2 Highly refractive immersion liquids and their use CARL ZEISS AG (DE) 2014-02-11 US disclosed
US-20100212547-A1 Highly Refractive Immersion Liquids And Their Use CARL ZEISS AG (DE) 2010-08-26 US disclosed
US-20100212547-A1 Highly Refractive Immersion Liquids And Their Use CARL ZEISS AG (DE) 2010-08-26 US disclosed
US-20100212547-A1 Highly Refractive Immersion Liquids And Their Use CARL ZEISS AG (DE) 2010-08-26 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-20100212547-A1 Highly Refractive Immersion Liquids And Their Use NR4A3, NR2E3, NR4A1 CYP1A2 1979/4885TDP1 4272/4885EPHX1 1296/4885

“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.