SCHEMBL4969658

SCHEMBL4969658

C1CCC(CCCC2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
SIGMAR1 Q99720 4/20 0.62
SLC18A3 Q16572 1/20 0.43
CEL P19835 2/20 0.42
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL454467 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL10579794 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL11503388 1.00 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL8080519 0.97 CYP1A2 (0.65) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL9190697 0.93 SIGMAR1 (0.70) CYP1A2SIGMAR1CELEPHX1
SCHEMBL1207447 0.93 CYP1A2 (0.60) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL8023611 0.93 SIGMAR1 (0.70) CYP1A2SIGMAR1CELEPHX1
SCHEMBL5614191 0.93 SIGMAR1 (0.70) CYP1A2SIGMAR1CELEPHX1
SCHEMBL11653901 0.93 SIGMAR1 (0.70) CYP1A2SIGMAR1CELEPHX1
SCHEMBL7915243 0.90 SIGMAR1 (0.75) CYP1A2SIGMAR1EPHX1

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
CN-113122059-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-113122059-B Preparation method of ink and quantum dot film TCL科技集团股份有限公司 2022-12-06 CN disclosed
CN-113122059-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
EP-1956907-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-08-20 EP disclosed
WO-2007060220-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 WO disclosed
US-4849524-A Process of preparing proline derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4775695-A TREATMENT OF BRAIN INJURIES AND EDEMA MERCK & CO., INC. (US) 1988-10-04 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-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests NR0B1, NR0B2, CBR1 CYP1A2 149/4885SIGMAR1 114/4885SLC18A3 920/4885

“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.