SCHEMBL6468965

SCHEMBL6468965

O=C(c1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.62
HSD11B1 P28845 7/20 0.62
POLB P06746 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
HTR6 P50406 1/20 0.54
MGLL Q99685 1/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL662218 0.94 HSD11B1 (0.64) SRD5A2HSD11B1POLBALDH1A1HTR2A
SCHEMBL31164032 0.90 HSD11B1 (0.68) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL662115 0.90 HSD11B1 (0.68) HSD11B1POLBALDH1A1HTR2AHTR2C
Bicarbonate SCHEMBL11466272 0.86 HSD11B1 (0.64) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL8110383 0.83 MEN1 (0.59) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL9870334 0.83 HSD11B1 (0.65) HSD11B1POLBALDH1A1HTR2AHTR2C
SCHEMBL7486159 0.82 SRD5A2 (0.65) SRD5A2POLBALDH1A1NPC1RAB9A
SCHEMBL19762913 0.82 NPC1 (0.53) HSD11B1POLBALDH1A1NPC1RAB9A
SCHEMBL9136087 0.82 SRD5A2 (0.65) SRD5A2POLBALDH1A1NPC1RAB9A
SCHEMBL3440878 0.82 NPC1 (0.53) HSD11B1POLBALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102020726-B Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof NEWSUN CO LTD 2012-07-11 CN claimed
CN-102020726-A Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof CHANGSHA XINYU HIGH POLYMER TECHNOLOGY CO LTD 2011-04-20 CN claimed
CN-102020726-B Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof NEWSUN CO LTD 2012-07-11 CN disclosed
CN-102020726-A Macromolecule difunctional group alpha-hydroxy-ketone photoinitiator and preparation method thereof CHANGSHA XINYU HIGH POLYMER TECHNOLOGY CO LTD 2011-04-20 CN disclosed
US-20050176792-A1 Ketone substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005070420-A1 1H-BENZIMIDAZOL-2-YL-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ITK INHIBITORS (INTERLEUKIN-2-INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 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 (1 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-20050176792-A1 Ketone substituted benzimidazole compounds ITK, BLK, BCKDK SRD5A2 2313/4885HSD11B1 2303/4885POLB 2880/4885

“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.