SCHEMBL19200801

SCHEMBL19200801

CCCC(C)(CC)CC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 3/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FKBP1A P62942 1/20 0.39

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
SCHEMBL20340664 0.91 POLB (0.47) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL19182655 0.90 L3MBTL1 (0.48) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL20374788 0.89 POLB (0.46) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL23119558 0.88 POLB (0.47) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL19261359 0.86 POLB (0.49) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL22199660 0.84 POLB (0.49) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL19200319 0.83 TSHR (0.49) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL19645192 0.83 POLB (0.48) L3MBTL1POLBTSHRLMNAHPGD
SCHEMBL19618148 0.80 POLB (0.53) L3MBTL1POLBTSHRLMNAALDH1A1
SCHEMBL8379974 0.80 L3MBTL1 (0.48) L3MBTL1POLBTSHRLMNAHPGD

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-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 L3MBTL1 1562/4885POLB 844/4885TSHR 3492/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B L3MBTL1 3969/4885POLB 313/4885TSHR 4341/4885

“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.