SCHEMBL3397908

SCHEMBL3397908

O=C1CCCCC2CCCCCC12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
MT-CO2 P00403 4/20 0.41
ALOX5 P09917 4/20 0.41
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MCL1 Q07820 1/20 0.34
CA6 P23280 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL6764758 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL7109157 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL28883906 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL30456186 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3477839 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL7139457 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL7706359 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3721835 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL535669 1.00 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3438194 0.97 CA1 (0.48) KMT2ACA1CA2CA4MT-CO2

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 KMT2A 2011/4885CA1 472/4885CA2 1158/4885

“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.