SCHEMBL15077181

SCHEMBL15077181

COC(=O)c1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.52
PDK2 Q15119 2/20 0.52
PDK3 Q15120 2/20 0.52
PDK4 Q16654 2/20 0.52
ALDH1A1 P00352 6/20 0.51
NOTUM Q6P988 1/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45

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
SCHEMBL28144725 0.85 NOTUM (0.67) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL13440125 0.84 NOTUM (0.56) ALDH1A1NOTUMCA1CA2CA12
SCHEMBL3372362 0.81 CA1 (0.65) ALDH1A1NOTUMCA1CA2CA12
SCHEMBL15077180 0.81 NOTUM (0.53) ALDH1A1NOTUMCA1CA2CA12
SCHEMBL8658786 0.81 KDM4E (0.54) ALDH1A1NOTUMCA1CA2CA12
SCHEMBL6139390 0.80 ESRRA (0.55) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL4682582 0.80 ESRRA (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL5214142 0.80 TSHR (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL5393044 0.80 ALDH1A1 (0.64) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL29822834 0.80 ALDH1A1 (0.64) PDK1PDK2PDK3PDK4ALDH1A1

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-20230026696-A1 TRPV4 RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-26 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 PDK1 3393/4885PDK2 2045/4885PDK3 2940/4885
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS TRPV4, TRPV2, TRPV3 PDK1 3225/4885PDK2 3268/4885PDK3 2930/4885

“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.