SCHEMBL720974

SCHEMBL720974

C=C(C)C(=O)NCCCCCC(C)(C)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36

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
SCHEMBL719269 0.89 ALDH1A1 (0.43) POLBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL721957 0.83 TGM2 (0.51) EGFRNAAAALDH1A1HDAC3HDAC4
SCHEMBL717491 0.78 MTNR1A (0.38) POLBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL285167 0.77 TDP1 (0.49) POLBALDH1A1HTT
SCHEMBL718911 0.73 ALDH1A1 (0.40) POLBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL718250 0.73 POLB (0.40) POLBMTNR1AMTNR1BNAAAALDH1A1
SCHEMBL7766885 0.72 KDM4E (0.40) POLBALDH1A1KDM4EEPHX1KMT2A
SCHEMBL718998 0.72 ALDH1A1 (0.39) POLBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL28063078 0.72 NAAA (0.64) POLBNAAAHDAC3HDAC4HDAC1
SCHEMBL8775297 0.72 KDM4E (0.56) ALDH1A1KDM4EEPHX1KMT2A

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 POLB 1398/4885EGFR 3286/4885MTNR1A 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.