SCHEMBL720462

SCHEMBL720462

C=C(C)C(=O)OC(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL285628 0.81 HCAR2 (0.39) MTNR1AMTNR1BALDH1A1POLBMAPK1
SCHEMBL914115 0.77 MTNR1A (0.49) ELANEMTNR1AMTNR1BALDH1A1FFAR1
SCHEMBL285591 0.76 TDP1 (0.41) ELANEMTNR1AMTNR1BATMTDP1
SCHEMBL718998 0.75 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1HPGDPOLB
SCHEMBL41864 0.74 HCAR2 (0.53) ELANEATMALDH1A1HPGDHCAR2
SCHEMBL10907558 0.74 HCAR2 (0.53) ELANEATMALDH1A1HPGDHCAR2
SCHEMBL285609 0.73 MTNR1A (0.36) ELANEMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL285265 0.73 TDP1 (0.47) ELANEMTNR1AMTNR1BTDP1ALDH1A1
SCHEMBL719131 0.72 TDP1 (0.49) ELANETDP1ALDH1A1POLB
SCHEMBL285167 0.72 TDP1 (0.49) ELANETDP1ALDH1A1POLB

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 ELANE 4130/4885MTNR1A 4207/4885MTNR1B 3998/4885

“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.