SCHEMBL721957

SCHEMBL721957

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.51
ZDHHC2 Q9UIJ5 2/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
EGFR P00533 1/20 0.45
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40

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
SCHEMBL717487 0.89 TGM2 (0.46) TGM2ZDHHC2ZDHHC20EGFRGAA
SCHEMBL720974 0.83 POLB (0.39) EGFRALDH1A1KMT2AHDAC3HDAC4
SCHEMBL294482 0.79 ALDH1A1 (0.42) TGM2ZDHHC2ZDHHC20GAAALDH1A1
SCHEMBL285067 0.78 TSHR (0.49) ALDH1A1CYP3A4
SCHEMBL285105 0.78 TSHR (0.49) ALDH1A1CYP3A4
SCHEMBL719566 0.77 TGM2 (0.40) TGM2ZDHHC2ZDHHC20EGFRGAA
SCHEMBL24119207 0.75 ZDHHC20 (0.65) TGM2ZDHHC2ZDHHC20EGFRGAA
SCHEMBL719426 0.74 TGM2 (0.48) TGM2ZDHHC2ZDHHC20EGFRGAA
SCHEMBL22367606 0.74 ZDHHC20 (0.53) TGM2ZDHHC2ZDHHC20GAAALDH1A1
Ammonia Solution, Strong SCHEMBL27495249 0.74 ZDHHC20 (0.62) TGM2ZDHHC2ZDHHC20EGFRGAA

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 TGM2 3099/4885ZDHHC2 3747/4885ZDHHC20 2639/4885

“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.