SCHEMBL20733077

SCHEMBL20733077

CN(C1CCCCCCCCCCCCC1)C1CCCCCCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 8/20 0.50
ADH1C P00326 5/20 0.50
PHGDH O43175 2/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
ADH1B P00325 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH4 P08319 1/20 0.35
FDPS P14324 1/20 0.33

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
SCHEMBL22212617 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20725618 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20887811 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL24914755 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL22764966 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23374154 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23072499 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL23072500 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL22212587 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL20725616 1.00 ADH1A (0.50) ADH1AADH1CPHGDHFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248997-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR COVID-19 Hiroshima University (JP) 2023-09-27 EP disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
US-10944055-B2 Compound and organic photoelectric device, image sensor and electronic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-09 US disclosed
US-20190051833-A1 COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-02-14 US 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 (3 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-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A ADH1A 1528/4885ADH1C 1539/4885PHGDH 298/4885
US-20190051833-A1 COMPOUND AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR AND ELECTRONIC DEVICE INCLUDING THE SAME NCS1, PPOX, PIEZO1 ADH1A 758/4885ADH1C 1798/4885PHGDH 287/4885
US-10944055-B2 Compound and organic photoelectric device, image sensor and electronic device including the same NCS1, PPOX, PIEZO1 ADH1A 758/4885ADH1C 1798/4885PHGDH 287/4885

“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.