SCHEMBL878503

SCHEMBL878503

COC(=O)[C@@H](C)COC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA14 Q9ULX7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
ACACB O00763 3/20 0.33
POLB P06746 1/20 0.32
P2RX3 P56373 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 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
SCHEMBL31662531 0.84 PIK3CD (0.35) MEN1HTTKMT2ACA14ACACB
SCHEMBL20428869 0.84 SLC6A2 (0.35) TSHRMEN1HTTKMT2ACA14
SCHEMBL16467209 0.81 CYP19A1 (0.43) MEN1HTTKMT2ASMN1; SMN2EPHX1
SCHEMBL16467167 0.80 CYP19A1 (0.45) HTTSMN1; SMN2EPHX1ALDH1A1RAB9A
SCHEMBL20288706 0.75 SLC6A3 (0.42) TSHRMEN1HTTKMT2AALDH1A1
SCHEMBL20288867 0.75 SLC6A3 (0.42) TSHRMEN1HTTKMT2AALDH1A1
SCHEMBL3670044 0.74 LMNA (0.43) TSHRMEN1HTTKMT2ASMN1; SMN2
SCHEMBL14759200 0.73 EPHX1 (0.33) MEN1HTTKMT2AEPHX1
SCHEMBL14759131 0.71 EPHX1 (0.35) EPHX1ALDH1A1
SCHEMBL445678 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 TSHR 1264/4885MEN1 2410/4885HTT 2010/4885

“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.