SCHEMBL15217982

SCHEMBL15217982

CC(=O)CCc1ccc(-c2ccc(C)cc2)o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
KDM4E B2RXH2 6/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C19 P33261 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
DDAH1 O94760 1/20 0.77
MAPT P10636 10/20 0.55
PKM P14618 7/20 0.55
HTT P42858 3/20 0.55
HSD17B10 Q99714 3/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 6/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GFER P55789 1/20 0.55
TSHR P16473 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL15213964 0.87 ALDH1A1 (1.00) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL8806385 0.75 PKM (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTPKM
SCHEMBL9538809 0.75 ALDH1A1 (0.62) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL13680866 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL10050008 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL14793048 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL2466643 0.71 ALDH1A1 (1.00) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL16921274 0.71 ALDH1A1 (0.73) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL18177326 0.71 ALDH1A1 (1.00) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL28429884 0.70 ALDH1A1 (0.84) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2

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-20150238472-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-08-27 US disclosed
US-9011882-B2 Dimethylarginine dimethylaminohydrolase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-21 US disclosed
US-20130224259-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-08-29 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 (2 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-20150238472-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof DDAH1, DIMT1, PADI1 ALDH1A1 563/4885KDM4E 1401/4885CYP1A2 185/4885
US-20130224259-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof DDAH1, DIMT1, PADI1 ALDH1A1 563/4885KDM4E 1401/4885CYP1A2 185/4885

“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.