SCHEMBL14765346

SCHEMBL14765346

CC(C)OC(=O)[C@H](Cc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPA1 O75762 1/20 0.46
MDM2 Q00987 1/20 0.44
ACE P12821 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SRR Q9GZT4 1/20 0.42
MMP8 P22894 1/20 0.42
ALPI P09923 1/20 0.42

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
SCHEMBL15159077 1.00 TSHR (0.54) TSHRMEN1KMT2ASLC1A3SLC1A2
SCHEMBL15015866 0.88 TSHR (0.53) TSHRMEN1KMT2ASLC1A3SLC1A2
SCHEMBL8272228 0.87 TSHR (0.51) TSHRMEN1KMT2ASLC1A3SLC1A2
SCHEMBL2246856 0.87 TSHR (0.51) TSHRMEN1KMT2ASLC1A3SLC1A2
SCHEMBL2249296 0.87 TSHR (0.51) TSHRMEN1KMT2ASLC1A3SLC1A2
SCHEMBL12864879 0.85 KMT2A (0.41) TSHRKMT2ACYP2C9PTGS1HPGD
SCHEMBL5517229 0.84 KMT2A (0.64) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL12552493 0.84 KMT2A (0.64) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4206099 0.84 KMT2A (0.64) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL10429976 0.83 MMP8 (0.56) MEN1KMT2ASLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580467-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2017-02-28 US disclosed
US-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2016-03-03 US disclosed
US-8802632-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-08-12 US disclosed
US-8772542-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 US disclosed
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-01 US disclosed
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-07-25 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 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 (3 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-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 TSHR 611/4885MEN1 333/4885KMT2A 2238/4885
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 TSHR 611/4885MEN1 333/4885KMT2A 2238/4885
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 TSHR 611/4885MEN1 333/4885KMT2A 2238/4885

“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.