SCHEMBL285750

SCHEMBL285750

C=C(C)C(=O)OCCSC(CCC)(CCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NFKB1 P19838 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL285742 0.90 THRB (0.40) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL285514 0.82 KIF11 (0.49) POLBAPEX1HTTTDP1KIF11
SCHEMBL285289 0.81 POLB (0.41) TSHRCYP2C19THRBPOLBAPEX1
SCHEMBL285399 0.81 KIF11 (0.44) TSHRCYP2C19THRBPOLBAPEX1
SCHEMBL720076 0.77 NPC1 (0.41) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28552216 0.75 POLB (0.44) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL8850640 0.74 SCN1A (0.40) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL295983 0.74 TDP1 (0.45) TSHRCYP3A4CYP2D6CYP2C19THRB
SCHEMBL2392778 0.73 MTNR1A (0.50) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL285208 0.73 TSHR (0.41) SCN1ASCN2ASCN3ATSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SCN1A 1631/4885SCN2A 2747/4885SCN3A 3158/4885

“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.