SCHEMBL2045217

SCHEMBL2045217

COc1cccc(-c2ccco2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
HPGD P15428 7/20 0.67
KDM4E B2RXH2 5/20 0.67
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
RECQL P46063 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
ALOX12 P18054 1/20 0.53
PTPN7 P35236 1/20 0.53
HTT P42858 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL2385998 0.84 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL3685934 0.80 TAAR1 (0.55) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL4059615 0.80 RAB9A (0.60) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL4057106 0.80 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL5669847 0.79 KEAP1 (0.53) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL29489425 0.79 CYP3A4 (0.73) ALDH1A1KDM4EKMT2ANOTUMCYP3A4
SCHEMBL196765 0.79 CYP3A4 (0.73) ALDH1A1KDM4EKMT2ANOTUMCYP3A4
SCHEMBL27868445 0.78 KEAP1 (0.55) ALDH1A1KDM4ENPC1POLBMAPT
SCHEMBL16844369 0.77 HPGD (0.54) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL29628977 0.77 CYP3A4 (0.77) ALDH1A1NOTUMCYP3A4DYRK1ACLK4

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
US-20210186927-A1 COMBINATION PRODUCT FOR THE INDUCTION AND/OR MAINTENANCE OF GENERAL ANESTHESIA TERRAN BIOSCIENCES, INC. 2021-06-24 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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 (4 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 ALDH1A1 2376/4885HPGD 109/4885KDM4E 64/4885
US-20210186927-A1 COMBINATION PRODUCT FOR THE INDUCTION AND/OR MAINTENANCE OF GENERAL ANESTHESIA OPRK1, OPRD1, GABRD ALDH1A1 1799/4885HPGD 2881/4885KDM4E 1235/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 ALDH1A1 447/4885HPGD 1537/4885KDM4E 923/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885HPGD 1885/4885KDM4E 960/4885

“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.