SCHEMBL6350370

SCHEMBL6350370

COC(=O)C1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 1/20 0.52
CPB1 P15086 1/20 0.51
TSHR P16473 5/20 0.50
CYP3A4 P08684 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7403759 0.90 MEN1 (0.54) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL7403761 0.90 MEN1 (0.54) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL8393648 0.89 LMNA (0.58) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL6483802 0.88 ALDH1A1 (0.53) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL6483798 0.88 ALDH1A1 (0.53) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL594857 0.88 ALDH1A1 (0.67) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL594858 0.88 ALDH1A1 (0.67) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL9408501 0.88 ALDH1A1 (0.50) ALDH1A1GAACPB1TSHRCYP3A4
SCHEMBL4654803 0.87 ALDH1A1 (0.65) ALDH1A1GAATSHRCYP3A4CYP2C9
SCHEMBL1129080 0.86 TSHR (0.50) ALDH1A1GAACPB1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368185-A9 METHOD OF PREPARING DENDRITIC DRUGS CHAI MINGHUI (CN) 2017-12-28 US disclosed
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 US disclosed
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 US disclosed
US-20160206746-A1 METHOD OF PREPARING DENDRITIC DRUGS CHAI MINGHUI (CN) 2016-07-21 US disclosed
US-20160206746-A1 METHOD OF PREPARING DENDRITIC DRUGS CHAI MINGHUI (CN) 2016-07-21 US disclosed
US-20070190151-A1 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2007-08-16 US disclosed
US-20070190151-A1 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2007-08-16 US disclosed
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 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 (4 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-20070190151-A1 Method of preparing dendritic drugs MYD88, TLR3, TLR6 ALDH1A1 3848/4885GAA 1697/4885CPB1 4411/4885
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 ALDH1A1 2563/4885GAA 4779/4885CPB1 353/4885
US-20160206746-A1 METHOD OF PREPARING DENDRITIC DRUGS MYD88, TLR3, TLR6 ALDH1A1 3848/4885GAA 1697/4885CPB1 4411/4885
US-20170368185-A9 METHOD OF PREPARING DENDRITIC DRUGS MYD88, TLR3, TLR6 ALDH1A1 3848/4885GAA 1697/4885CPB1 4411/4885

“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.