SCHEMBL548176

SCHEMBL548176

CCC12CC3CC(CC(C3)C1OC(=O)CBr)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
EPHX2 P34913 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL547610 0.81 ALDH1A1 (0.31) ALDH1A1EPHX2
SCHEMBL26078962 0.80 SCN1A (0.40) ALDH1A1LMNAKMT2AMEN1
SCHEMBL453582 0.78 EPHX2 (0.31) ALDH1A1LMNAEPHX2KMT2AMEN1
SCHEMBL451377 0.78 ALDH1A1 (0.31) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL12346677 0.77 ALDH1A1 (0.35) ALDH1A1LMNAEPHX2SMN1; SMN2
SCHEMBL12346676 0.77 ALDH1A1 (0.33) ALDH1A1EPHX2
SCHEMBL6859010 0.77 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL13447548 0.77 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL5917727 0.75 ATM (0.44) ALDH1A1LMNASMN1; SMN2
SCHEMBL6749784 0.75 EPHX2 (0.30) ALDH1A1EPHX2

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 10 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-20130122424-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 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 4594/4885TRPA1 3084/4885LMNA 469/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885TRPA1 2463/4885LMNA 286/4885

“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.