Cyclohexanone

Cyclohexanone

SCHEMBL2678292

O=C1CCCCC1.c1ccc(O[Al](Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ TRIM24 O15164 2/20 0.44
▸ TRIM33 Q9UPN9 2/20 0.44
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ MAOA P21397 1/20 0.31

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
Cyclohexanone SCHEMBL14842383 0.78 TRIM24 (0.46) ALDH1A1TRIM24TRIM33MEN1KMT2A
Anisole SCHEMBL2891523 0.78 CA4 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
Anisole SCHEMBL27660009 0.78 CA4 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
Anisole SCHEMBL8206891 0.78 CA4 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
SCHEMBL599721 0.78 LTA4H (0.50) ALDH1A1L3MBTL1TSHRLTA4HMAOA
Cyclohexanone SCHEMBL4564591 0.75 ALDH1A1 (0.79) ALDH1A1TRIM24TRIM33MEN1KMT2A
Biphenyl SCHEMBL15659681 0.73 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
Biphenyl SCHEMBL15656774 0.73 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
Biphenyl SCHEMBL1944653 0.73 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33MEN1KMT2A
Cyclopentanone SCHEMBL28251672 0.72 TRIM24 (0.77) ALDH1A1TRIM24TRIM33MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173824-B2 Process for producing vitamin D derivative using convergent method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-08 — — US disclosed
US-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-26 — — US disclosed
EP-1955999-A1 METHOD FOR PRODUCING VITAMIN D DERIVATIVE BY USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-08-13 — — 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 (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-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CYP2R1, CYP24A1, VDR ALDH1A1 339/4885TRIM24 1123/4885TRIM33 4007/4885

“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.

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