SCHEMBL22159677

SCHEMBL22159677

CC1(C)OB(c2c(Oc3ccccc3)cccc2Oc2ccc(Cl)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 4/20 0.38
DPP4 P27487 1/20 0.38
PPARA Q07869 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
PGR P06401 1/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL16139819 0.91 LPL (0.43) SLC6A4SLC6A2HTTDPP4LPL
SCHEMBL23406401 0.89 SLC6A4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL22159668 0.87 DPP4 (0.43) SLC6A4SLC6A2SLC6A3DPP4LPL
SCHEMBL23406341 0.84 SLC6A4 (0.46) HTR2ASLC6A4SLC6A2SLC6A3L3MBTL1
SCHEMBL14857542 0.75 TDP2 (0.43) PPARALPLLIPGALDH1A1HPGD
SCHEMBL23406368 0.75 HTT (0.46) SLC6A4CYP1A2HTTLPLLIPG
SCHEMBL17423585 0.74 LPL (0.50) LPLLIPG
SCHEMBL17423566 0.73 CA1 (0.53) LPLLIPG
SCHEMBL5899727 0.72 LPL (0.65) LPLLIPG
SCHEMBL4356244 0.71 LPL (0.47) CYP1A2CYP3A4CYP2C9CYP2C19LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-07 US disclosed
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-07 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-06-03 US disclosed
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-06-03 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 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 (4 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-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 HTR2A 3805/4885SLC6A4 2311/4885SLC6A2 2026/4885
US-20210167288-A1 POLYCYCLIC AROMATIC COMPOUND ARNT, TYR, AHR HTR2A 3639/4885SLC6A4 964/4885SLC6A2 1307/4885
US-11600790-B2 Polycyclic aromatic compound for organic electroluminescent device AOC2, TYR, BMI1 HTR2A 4231/4885SLC6A4 1440/4885SLC6A2 1323/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 HTR2A 3805/4885SLC6A4 2311/4885SLC6A2 2026/4885

“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.