SCHEMBL1247237

SCHEMBL1247237

CCCC(C)C.CCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 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
Isopropyl Alcohol SCHEMBL2007281 0.92 TSHR (0.36) PLA2G1BPLA2G2ATSHRLMNA
Alcohol SCHEMBL2126840 0.92 TSHR (0.42) PLA2G1BPLA2G2ATSHRLMNA
Acetic Acid SCHEMBL1244963 0.85 CHRM1 (0.41) PLA2G1BPLA2G2ATSHR
SCHEMBL907968 0.83 TSHR (0.44) TSHRLMNA
SCHEMBL29399686 0.83
SCHEMBL4635 0.83
SCHEMBL2487739 0.83
Butyric Acid SCHEMBL2140387 0.80 HDAC1 (0.52) TSHRCYP1A2
Hydrogen Sulfide SCHEMBL5675257 0.79
Water SCHEMBL3346079 0.79 TSHR (0.42) TSHRCYP1A2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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 (3 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 PLA2G1B 4239/4885PLA2G2A 4022/4885TSHR 1318/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 PLA2G1B 3955/4885PLA2G2A 4630/4885TSHR 1880/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 PLA2G1B 4239/4885PLA2G2A 4022/4885TSHR 1318/4885

“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.