SCHEMBL718998

SCHEMBL718998

C=C(C)C(=O)NC(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
TGFBR1 P36897 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MMP13 P45452 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
SCHEMBL717492 0.81 CYP2C19 (0.43) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL719269 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL718911 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL720462 0.75 ELANE (0.35) ALDH1A1MTNR1AMTNR1BPOLBMAPK1
SCHEMBL720974 0.72 POLB (0.39) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL21891282 0.71 TGFBR1 (0.46) ALDH1A1TGFBR1RXFP1
SCHEMBL719627 0.70 KDM4E (0.37) ALDH1A1KDM4ETGFBR1MMEACE
SCHEMBL32672490 0.70 KIF11 (0.50) PKM
SCHEMBL30777014 0.69 KIF11 (0.46)
SCHEMBL32672499 0.69 PPARA (0.56) ACEMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ ALDH1A1 3560/4885KDM4E 1751/4885MTNR1A 4207/4885

“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.