SCHEMBL548469

SCHEMBL548469

CC[CH]C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP19A1 P11511 2/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP17A1 P05093 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL29050087 0.82 NAAA (0.39) NPSR1NAAAALDH1A1CYP19A1LMNA
Alcohol SCHEMBL17107774 0.79 NAAA (0.39) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL547983 0.79 NAAA (0.44) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL2307504 0.78 THRB (0.44) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL7536676 0.78 THRB (0.44) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL9274200 0.78 THRB (0.44) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL31489866 0.76 NAAA (0.41) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL1337905 0.76 NPSR1 (0.42) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL7547820 0.76 NAAA (0.39) NPSR1NAAAALDH1A1CYP19A1LMNA
SCHEMBL1337900 0.76 NPSR1 (0.42) NPSR1NAAAALDH1A1CYP19A1LMNA

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
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
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN disclosed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
CN-103102251-B Radiation-ray sensitive composition MITSUBISHI GAS CHEMICAL INC. (JP) 2016-01-20 CN disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
CN-104281006-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2015-01-14 CN 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 NPSR1 1989/4885NAAA 3878/4885ALDH1A1 4594/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 NPSR1 2095/4885NAAA 3153/4885ALDH1A1 1078/4885

“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.