SCHEMBL1247101

SCHEMBL1247101

COC(CNCCCCCO)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL1246117 1.00 TDP1 (0.35) TDP1POLBALDH1A1HSD17B10ANPEP
SCHEMBL6929628 0.98 POLB (0.36) TDP1POLBALDH1A1HSD17B10ANPEP
SCHEMBL4302122 0.82 MEN1 (0.32) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL1532449 0.81 TSHR (0.50) ALDH1A1ANPEPERAP2TSHR
SCHEMBL10495800 0.81 TSHR (0.50) ALDH1A1ANPEPERAP2TSHR
SCHEMBL987948 0.81 TSHR (0.50) ALDH1A1ANPEPERAP2TSHR
SCHEMBL1668578 0.81 TSHR (0.50) ALDH1A1ANPEPERAP2TSHR
SCHEMBL21244314 0.79 CA12 (0.46) HSD17B10PKMCA12CA1CA2
SCHEMBL19743810 0.79 CA12 (0.46) HSD17B10PKMCA12CA1CA2
Hydrochloric Acid SCHEMBL28147327 0.79 TSHR (0.48) ALDH1A1ANPEPERAP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US 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-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 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-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 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
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TDP1 4658/4885POLB 3504/4885ALDH1A1 264/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 TDP1 4658/4885POLB 3504/4885ALDH1A1 264/4885

“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.