SCHEMBL581808

SCHEMBL581808

COC(=O)N1CCC(C(=O)O)CC1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
POLB P06746 1/20 0.33
BTK Q06187 1/20 0.33
TSHR P16473 1/20 0.33
TACR1 P25103 1/20 0.32
FKBP1A P62942 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL580791 0.85 BRD4 (0.34) BRD4CREBBP
SCHEMBL586949 0.84 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2POLBTSHRTACR1
SCHEMBL3077113 0.82 ALDH1A1 (0.38) ALDH1A1POLBTSHR
SCHEMBL579724 0.82 ALDH1A1 (0.38) ALDH1A1POLBTSHR
SCHEMBL3085537 0.82 ALDH1A1 (0.38) ALDH1A1POLBTSHR
SCHEMBL582094 0.82 HCRTR2 (0.38) SMN1; SMN2BRD4CREBBP
SCHEMBL587150 0.81 OPRK1 (0.33) ALDH1A1SMN1; SMN2MAPTBRD4CREBBP
SCHEMBL581337 0.79 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2POLBBTKTSHR
Malonic Acid SCHEMBL587787 0.78 ALDH1A1 (0.33) ALDH1A1POLBTSHRTACR1
SCHEMBL580419 0.78 RAB9A (0.37) ALDH1A1SMN1; SMN2MAPTBTKTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 CN disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 ALDH1A1 2598/4885SMN1; SMN2 2619/4885MAPT 4513/4885

“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.