SCHEMBL548018

SCHEMBL548018

[c]1ccc(C23CCC(CC2)C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PGR P06401 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8098112 0.86 PNMT (0.32) ALDH1A1LMNA
SCHEMBL21220794 0.84 LMNA (0.45) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL67257 0.80 LMNA (0.57) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL23071388 0.79 GRIN2D (0.33) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL3049401 0.74 ESR2 (0.52) ALDH1A1LMNAEPHX2
SCHEMBL21409729 0.74 ALDH1A1 (0.67) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL26006728 0.74 MEN1 (0.47) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL996302 0.70 GRIN2D (0.44) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL18317467 0.69 LMNA (0.55) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL31109581 0.69 ALDH1A1 (0.37) ALDH1A1LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US claimed
US-20220396574-A1 LIGHT-EMITTING DEVICE, DISPLAY DEVICE, ELECTRONIC DEVICE, ORGANIC COMPOUND, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-12-15 US disclosed
WO-2021044262-A1 LIGHT-EMITTING DEVICE, DISPLAY DEVICE, ELECTRONIC APPLIANCE, ORGANIC COMPOUND, AND ILLUMINATOR 株式会社半導体エネルギー研究所 2021-03-11 WO disclosed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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 (2 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-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885LMNA 286/4885GRIN2D 3216/4885
US-20220396574-A1 LIGHT-EMITTING DEVICE, DISPLAY DEVICE, ELECTRONIC DEVICE, ORGANIC COMPOUND, AND LIGHTING DEVICE CRY1, CYP1A1, ARNT ALDH1A1 11/4885LMNA 3849/4885GRIN2D 441/4885

“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.