SCHEMBL285276

SCHEMBL285276

CC(C)(CCO)Sc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 3/20 0.33
HPGD P15428 2/20 0.33
RIPK1 Q13546 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRMT1 Q99873 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL2950715 0.83 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRHPGDMAPT
SCHEMBL1454164 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRHPGDRIPK1
SCHEMBL1454773 0.78 KIF11 (0.36) ALDH1A1MAPK1HPGDMAPTSMN1; SMN2
SCHEMBL1454222 0.76 GAA (0.37) MAPK1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL7324259 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRMEN1KMT2A
SCHEMBL14430941 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRHPGDRIPK1
SCHEMBL1454296 0.75 GAA (0.36) MAPK1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL10351871 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRHPGDRIPK1
SCHEMBL776173 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRHPGDMAPT
SCHEMBL2945120 0.74 CYP1A2 (0.53) ALDH1A1MAPK1HPGDMAPTSMN1; SMN2

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 9 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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO 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 3560/4885MAPK1 688/4885TSHR 4518/4885

“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.