SCHEMBL547689

SCHEMBL547689

ClC(OC(Cl)C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 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
SCHEMBL20411178 0.87 SHBG (0.37) EPHX1SHBGTP53
SCHEMBL2000549 0.78 SHBG (0.39) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL23701231 0.72 EPHX1 (0.34) EPHX1SHBGTP53KDM4EGMNN
Cyclohexane SCHEMBL17156204 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL185455 0.71
Cyclohexane SCHEMBL6475300 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN
Cyclohexane SCHEMBL6482192 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN
Cyclohexane SCHEMBL3485509 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL21279788 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN
Cyclohexane SCHEMBL2027488 0.71 EPHX1 (0.41) EPHX1SHBGTP53KDM4EGMNN

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
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 EPHX1 2189/4885SHBG 104/4885TP53 2954/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 EPHX1 1850/4885SHBG 377/4885TP53 3230/4885

“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.