SCHEMBL719269

SCHEMBL719269

C=C(C)C(=O)NCCC(C)(C)Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
PLAAT5 Q96KN8 2/20 0.35
PLAAT4 Q9UL19 2/20 0.35
RECQL P46063 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESRRG P62508 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL720974 0.89 POLB (0.39) ALDH1A1KDM4EMTNR1AMTNR1BPOLB
SCHEMBL717491 0.85 MTNR1A (0.38) ALDH1A1KDM4EMTNR1AMTNR1BRAB9A
SCHEMBL717487 0.81 TGM2 (0.46) ALDH1A1MTNR1AMTNR1BRAB9ANPC1
SCHEMBL718911 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMTNR1AMTNR1BRAB9A
SCHEMBL718998 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMTNR1AMTNR1BSMN1; SMN2
SCHEMBL285591 0.74 TDP1 (0.41) ALDH1A1MTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL1027805 0.72 SMN1; SMN2 (0.64) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL719664 0.71 NPC1 (0.48) ALDH1A1KDM4EMTNR1AMTNR1BRAB9A
SCHEMBL716724 0.71 NPC1 (0.48) ALDH1A1KDM4EMTNR1AMTNR1BRAB9A
SCHEMBL285265 0.71 TDP1 (0.47) ALDH1A1MTNR1AMTNR1BPOLB

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.