SCHEMBL547745

SCHEMBL547745

O=Cc1ccc(C23CCC(CC2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
LMNA P02545 1/20 0.37
CYP2A6 P11509 4/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL9467531 0.83 LMNA (0.48) ALDH1A1LMNAGAANPC1GRIN2D
SCHEMBL548601 0.82 ALDH1A1 (0.57) ALDH1A1LMNAGAANPC1GRIN2D
SCHEMBL28326184 0.81 ALDH1A1 (0.55) ALDH1A1LMNAGAANPC1GRIN2D
SCHEMBL8289283 0.75 ALDH1A1 (0.38) ALDH1A1LMNAGAAKDM4ENPC1
SCHEMBL13947217 0.74 CYP2A6 (0.44) ALDH1A1CYP2A6HSD17B10ALDH5A1ABAT
SCHEMBL21753170 0.74 MEN1 (0.49) ALDH1A1LMNACYP2A6GAAKDM4E
SCHEMBL3049401 0.74 ESR2 (0.52) ALDH1A1LMNAGAANPC1
SCHEMBL21409729 0.74 ALDH1A1 (0.67) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL26006728 0.74 MEN1 (0.47) ALDH1A1LMNACYP2A6GAANPC1
SCHEMBL3963146 0.73 MEN1 (0.46) GAATRIM24TRIM33TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 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

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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS ALDH1A1 4594/4885LMNA 469/4885CYP2A6 3333/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885LMNA 286/4885CYP2A6 2878/4885

“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.