SCHEMBL486895

SCHEMBL486895

CCCCCCC(C)C1CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CCR2 P41597 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.35
NAAA Q02083 2/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 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
SCHEMBL30636633 0.98 CYP2D6 (0.41) CYP2D6CCR2CA1CA2CA4
SCHEMBL13548376 0.98 CYP2D6 (0.41) CYP2D6CCR2CA1CA2CA4
SCHEMBL1472064 0.93 CYP2D6 (0.36) CYP2D6CCR2CYP1A2ALDH1A1
SCHEMBL3726325 0.90 CYP2D6 (0.44) CYP2D6CA1CA2CA4KMT2A
SCHEMBL4740930 0.88 CYP2D6 (0.43) CYP2D6CA1CA2CA4KMT2A
SCHEMBL1767335 0.88 CYP2D6 (0.37) CYP2D6CA1CA2CA4KMT2A
SCHEMBL8032810 0.88 CYP2D6 (0.37) CYP2D6CA1CA2CA4KMT2A
SCHEMBL11904413 0.84 CYP2D6 (0.39) CYP2D6CA1CA2CA4KMT2A
SCHEMBL11903954 0.83 CYP2D6 (0.43) CYP2D6
SCHEMBL486885 0.81 CYP2D6 (0.40) CYP2D6CCR2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 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-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 CYP2D6 1419/4885CCR2 2268/4885CA1 1250/4885

“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.