SCHEMBL3397059

SCHEMBL3397059

O=C1CCC2(O)CCCC12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1237599 0.87 HTT (0.45) HTTLMNATSHRPOLBCYP3A4
SCHEMBL1238230 0.85 HTT (0.47) HTTLMNATSHRPOLBCYP3A4
SCHEMBL1237573 0.85 HTT (0.51) HTTLMNATSHRPOLBCYP3A4
SCHEMBL11795248 0.83 HTT (0.54) HTTLMNATSHRPOLBCYP3A4
SCHEMBL706323 0.83 HTT (0.54) HTTLMNATSHRPOLBCYP3A4
SCHEMBL1238035 0.83 HTT (0.54) HTTLMNATSHRPOLBCYP3A4
SCHEMBL28526429 0.69 HTT (0.35) HTT
SCHEMBL9998883 0.69 HTT (0.41) HTTLMNATSHRPOLBCYP3A4
SCHEMBL28528413 0.65 HTT (0.32) HTT
SCHEMBL28534032 0.65 CYP2D6 (0.36) HTTLMNATSHRPOLBCYP3A4

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
EP-2391597-B1 METHOD FOR PRODUCING PURE CYCLODODECANONE BASF SE (DE) 2018-08-22 EP disclosed
US-8188320-B2 Process for preparing pure cyclododecanone BASF SE (DE) 2012-05-29 US disclosed
US-20100191018-A1 PROCESS FOR PREPARING PURE CYCLODODECANONE BASF SE (DE) 2010-07-29 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 (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-20100191018-A1 PROCESS FOR PREPARING PURE CYCLODODECANONE CCNA1, CYC1, CCNA2 HTT 4816/4885LMNA 763/4885TSHR 4437/4885

“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.