SCHEMBL20100180

SCHEMBL20100180

CC(C)OCCCCCCCCNC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A2 O94788 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH1A3 P47895 1/20 0.44
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20100181 1.00 ALDH1A1 (0.53) ALDH1A1GAATSHRL3MBTL1LMNA
SCHEMBL21842269 1.00 ALDH1A1 (0.53) ALDH1A1GAATSHRL3MBTL1LMNA
SCHEMBL12543513 0.92 ALDH1A1 (0.61) ALDH1A1GAATSHRL3MBTL1LMNA
SCHEMBL12437114 0.84 KMT2A (0.48) ALDH1A1GAATSHRL3MBTL1LMNA
SCHEMBL23839910 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1ALDH1A2ALDH2ALDH1A3
SCHEMBL23188735 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1ALDH1A2ALDH2ALDH1A3
SCHEMBL17777241 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1ALDH1A2ALDH2ALDH1A3
SCHEMBL23442889 0.83 TSHR (0.48) ALDH1A1GAATSHRMAPK1ALDH1A2
SCHEMBL18596695 0.83 ALDH1A1 (0.54) ALDH1A1GAATSHRL3MBTL1LMNA
SCHEMBL23136899 0.83 TSHR (0.48) ALDH1A1GAATSHRMAPK1ALDH1A2

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
EP-4144738-A1 COELENTERAZINE ANALOGUES TETHERED TO ENERGY ACCEPTORS Promega Corporation (US) 2023-03-08 EP disclosed
US-20180119200-A1 COELENTERAZINE ANALOGUES TETHERED TO ENERGY ACCEPTORS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-05-03 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 (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-20180119200-A1 COELENTERAZINE ANALOGUES TETHERED TO ENERGY ACCEPTORS GLB1, SI, AADAC ALDH1A1 2800/4885GAA 771/4885TSHR 3004/4885

“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.