SCHEMBL765779

SCHEMBL765779

CC(C)C[C@H](CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL17365007 1.00 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL5016256 1.00 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL4610047 0.87 TSHR (0.44) TSHRTDP1
SCHEMBL13143420 0.84 TSHR (0.50) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL1613823 0.80 TSHR (0.40) TSHRTDP1
SCHEMBL9989406 0.79 TSHR (0.41) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL571433 0.79
SCHEMBL7249315 0.79 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL4611087 0.79 TSHR (0.39) TSHRTDP1
SCHEMBL1614947 0.79 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1ANPEP

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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 (9 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885TDP1 1216/4885ALDH1A1 3811/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TDP1 610/4885ALDH1A1 2353/4885
US-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT TSHR 3918/4885TDP1 366/4885ALDH1A1 2134/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TDP1 610/4885ALDH1A1 2353/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TDP1 610/4885ALDH1A1 2353/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885TDP1 497/4885ALDH1A1 1375/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TDP1 610/4885ALDH1A1 2353/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885TDP1 1216/4885ALDH1A1 3811/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TSHR 2756/4885TDP1 2809/4885ALDH1A1 3939/4885

“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.