SCHEMBL20134604

SCHEMBL20134604

CCCC(CCC)C1CCCC=C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
DPP4 P27487 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ACE P12821 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
HTT P42858 1/20 0.30
SLC6A4 P31645 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
SCHEMBL17286157 0.78 NPC1 (0.33) CYP2D6ACEHTT
SCHEMBL13810242 0.73 SLC6A2 (0.32) SLC6A3SLC6A2SLC6A4
SCHEMBL19175977 0.69 ALDH1A1 (0.35) HTT
SCHEMBL12621094 0.69 CHRNB2 (0.30)
SCHEMBL1827466 0.69 ALDH1A1 (0.35) HTT
SCHEMBL27744281 0.67 CHRNB2 (0.36)
SCHEMBL24411157 0.66 GAA (0.32)
SCHEMBL164696 0.65 SIRT1 (0.32)
SCHEMBL18487402 0.65 HCAR2 (0.39)
SCHEMBL1463307 0.64 CHRNB2 (0.36)

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-10808007-B2 Desacetoxytubulysin H and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-10-20 US disclosed
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 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 (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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R SLC6A3 502/4885SLC6A2 1221/4885CYP3A4 503/4885
US-10808007-B2 Desacetoxytubulysin H and analogs thereof REN, MAN2B2, UTS2R SLC6A3 502/4885SLC6A2 1221/4885CYP3A4 503/4885

“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.