SCHEMBL12414729

SCHEMBL12414729

CC[C@H](C)COC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
FFAR1 O14842 1/20 0.34
ELANE P08246 2/20 0.33
TSHR P16473 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6060785 1.00 MAPT (0.48) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL13168166 0.87 TSHR (0.36) MAPTELANETSHRALDH1A1ALOX15
SCHEMBL8954807 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL16444587 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL8954811 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL1172359 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL2825399 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL18558913 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL16444588 0.83 MAPT (0.47) MAPTFFAR1ELANETSHRALDH1A1
SCHEMBL25392616 0.82 MAPT (0.50) MAPTFFAR1ELANETSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 MAPT 3900/4885FFAR1 4685/4885ELANE 275/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MAPT 2367/4885FFAR1 404/4885ELANE 1171/4885

“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.