SCHEMBL3767592

SCHEMBL3767592

CC(C)COc1cccc2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
NR2E1 Q9Y466 7/20 0.49
CYP2D6 P10635 5/20 0.47
CYP1A2 P05177 4/20 0.47
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
HTR1B P28222 4/20 0.47
SLC6A4 P31645 3/20 0.47
HTR2B P41595 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ADRB3 P13945 3/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR6 P50406 3/20 0.47
TSHR P16473 3/20 0.47
SCN1A P35498 2/20 0.47
SLC10A1 Q14973 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47

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
SCHEMBL29829725 0.85 NR2E1 (0.64) NR2E1CYP2D6CYP1A2ADRB2ADRB1
SCHEMBL5031818 0.85 NR2E1 (0.64) NR2E1CYP2D6CYP1A2ADRB2ADRB1
SCHEMBL17912800 0.85 HTT (0.51) TLR8NR2E1HTR1BSLC6A4SMN1; SMN2
SCHEMBL17912865 0.83 TLR8 (0.46) TLR8NR2E1CYP2D6CYP1A2ADRB2
SCHEMBL27902832 0.82 CYP1A2 (0.55) NR2E1CYP2D6CYP1A2ADRB2ADRB1
SCHEMBL2314941 0.81 ALDH1A1 (0.47) TLR8CYP2D6CYP1A2HTR1BALDH1A1
Anthracene SCHEMBL28585327 0.81 KCNA3 (0.49) TLR8NR2E1HTR1BSLC6A4HTR2A
SCHEMBL27902830 0.80 CYP1A2 (0.74) NR2E1CYP2D6CYP1A2ADRB2ADRB1
SCHEMBL7836099 0.79 CYP1A2 (0.50) TLR8NR2E1CYP2D6CYP1A2ADRB2
SCHEMBL28485626 0.79 ALDH1A1 (0.43) TLR8ALDH1A1TSHRMAPK1HSD17B10

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
CN-116360211-A Chemically amplified positive photosensitive resin composition, protective film, and element having protective film 奇美实业股份有限公司 2023-06-30 CN disclosed
CN-113454090-A Compound having polycyclic aromatic skeleton and endoperoxide compound thereof 川崎化成工业株式会社 2021-09-28 CN disclosed
CN-107108774-A Ultra-violet solidified fluid composition, the uv-curing type ink jet ink using it, ultraviolet hardening wet type electrophotographic liquid developer, ultraviolet hardening electrostatic inkjet ink and image forming method 佳能株式会社 2017-08-29 CN disclosed
US-20100297541-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 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-20100297541-A1 SULPHONIUM SALT INITIATORS NCOR1, NCOR2, SMARCC2 TLR8 2877/4885NR2E1 232/4885CYP2D6 3387/4885

“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.