SCHEMBL801049

SCHEMBL801049

COC(=O)C(C)C(O)CCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
CHRNB2 P17787 6/20 0.35
CHRNA4 P43681 6/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CA14 Q9ULX7 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL14764084 0.78 ABCB1 (0.46) ABCB1CHRNB2CHRNA4SMN1; SMN2CA1
SCHEMBL13307459 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL27543981 0.78 ABCB1 (0.54) ABCB1CHRNB2CHRNA4CHRM1CHRM3
SCHEMBL27518239 0.73 ABCB1 (0.71) ABCB1CA1CA2MEN1KMT2A
SCHEMBL8017417 0.73 ABCB1 (0.45) ABCB1SMN1; SMN2CA1CA2CA14
SCHEMBL4603026 0.72 LTA4H (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2446304 0.72 LTA4H (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL22986071 0.72 CHRM2 (0.34) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL7253640 0.72 ABCB1 (0.74) ABCB1CA1CA2MEN1KMT2A
SCHEMBL16985566 0.72 ABCB1 (0.74) ABCB1CA1CA2MEN1KMT2A

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 ABCB1 249/4885CHRNB2 4761/4885CHRNA4 4736/4885

“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.