SCHEMBL9670876

SCHEMBL9670876

O=[C]c1ccc(Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.59
CYP1A2 P05177 4/20 0.59
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR4A2 P43354 1/20 0.37
POLB P06746 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TYMS P04818 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FABP4 P15090 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7358839 0.86 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMTSHR
SCHEMBL4056769 0.85 IMPDH2 (0.37) CYP2A6CYP1A2ATMTSHRALDH1A1
SCHEMBL4954588 0.81 CYP2A6 (0.65) CYP2A6CYP1A2KMT2AATMTSHR
SCHEMBL1343712 0.77 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMPOLB
SCHEMBL2473555 0.77 CYP2A6 (1.00) CYP2A6CYP1A2KMT2AATMTSHR
SCHEMBL29494605 0.77 CYP2A6 (1.00) CYP2A6CYP1A2KMT2AATMTSHR
SCHEMBL1227243 0.75 CA1 (0.38) CYP2A6CYP1A2TSHRALDH1A1TDP1
SCHEMBL9035492 0.74 IMPDH2 (0.53) TSHRALDH1A1KDM4EMAPT
SCHEMBL9097548 0.73 IDO1 (0.59) CYP1A2TSHRTDP1MAPTHPGD
SCHEMBL8590439 0.73 IDO1 (0.46) KMT2ATSHRNPC1NR4A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP disclosed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP2A6 127/4885CYP1A2 18/4885KMT2A 3723/4885

“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.