SCHEMBL23082604

SCHEMBL23082604

CCCCCCNC(CC)CCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.39
ADRA1A P35348 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCC3 O15438 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
DNM1 Q05193 2/20 0.37
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
SCHEMBL26046825 0.98 SIGMAR1 (0.43) EPHX1SIGMAR1TSHRALDH1A1LMNA
SCHEMBL4747287 0.95 SIGMAR1 (0.44) EPHX1SIGMAR1TSHRALDH1A1LMNA
SCHEMBL841070 0.95 SIGMAR1 (0.44) EPHX1SIGMAR1TSHRALDH1A1LMNA
SCHEMBL11699658 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL9212478 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL27800763 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL9204346 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL24353239 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL9541689 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E
SCHEMBL14625028 0.91 EPHX1 (0.48) EPHX1TSHRALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 US disclosed
US-20210069358-A1 COMPOSITIONS AND METHODS TO DETECT GLUA1 IN BRAIN AND TO IDENTIFY THE PRESENCE OF GLUA1-MEDIATED POST-TRAUMATIC STRESS DISORDER AND OTHER NEUROLOGICAL DISORDERS NEUROVATION LABS INC (US) 2021-03-11 US disclosed
CN-107406534-A Ionomer resin, ionomer solution containing the ionomer resin, laminate, member, electrochemical element, and electrochemical device 日东电工株式会社 2017-11-28 CN disclosed
CN-107405617-A Anion exchange membrane, electrochemical element and electrochemical device having the same 日东电工株式会社 2017-11-28 CN disclosed
CN-104167564-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery 三菱化学株式会社 2017-04-12 CN disclosed
CN-105074514-A Polarizing plate SUMITOMO CHEMICAL CO 2015-11-18 CN disclosed
CN-102300719-B Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method for producing relief printing plate FUJIFILM CORP 2013-09-04 CN disclosed
CN-103135347-A Resin composition for laser engraving, flexographic printing plate precursor for laser engraving and process for producing same, and flexographic printing plate and process for making same FUJIFILM CORP 2013-06-05 CN disclosed
CN-102967995-A Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing same, process for making relief printing plate, and relief printing plate FUJIFILM CORP 2013-03-13 CN disclosed
CN-102621812-A Resin composition for laser engraving, relief printing plate precursor for laser engraving, and relief printing plate and process for making the same FUJIFILM CORP 2012-08-01 CN disclosed
CN-102540713-A Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing same, and process for making relief printing plate FUJIFILM CORP 2012-07-04 CN disclosed
CN-102540712-A Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing the same, and relief printing plate and process for making the same FUJIFILM CORP 2012-07-04 CN disclosed
CN-102436139-A Resin composition for laser engraving, relief printing plate precursor for laser engraving and process for producing the same, relief printing plate and process for making the same FUJIFILM CORP 2012-05-02 CN disclosed
CN-102300719-A Resin composition for laser engraving, relief printing plate precursor for laser engraving, relief printing plate and method for producing relief printing plate 2011-12-28 CN 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-20210069358-A1 COMPOSITIONS AND METHODS TO DETECT GLUA1 IN BRAIN AND TO IDENTIFY THE PRESENCE OF GLUA1-MEDIATED POST-TRAUMATIC STRESS DISORDER AND OTHER NEUROLOGICAL DISORDERS GRIA1, GRIA2, GRIA3 EPHX1 1422/4885SIGMAR1 1912/4885TSHR 4138/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 EPHX1 1664/4885SIGMAR1 3804/4885TSHR 2680/4885

“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.