SCHEMBL9989406

SCHEMBL9989406

CC(C)CC(CC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL24894004 0.87 ALDH1A1 (0.33) TSHRALDH1A1MAPK1
SCHEMBL20628212 0.84 ALDH1A1 (0.32) TSHRALDH1A1MAPK1
SCHEMBL18743385 0.84 ALDH1A1 (0.32) TSHRALDH1A1MAPK1
SCHEMBL24023982 0.84 TSHR (0.61) TSHRALDH1A1MAPK1ANPEPERAP2
SCHEMBL599070 0.82 TSHR (0.35) TSHRALDH1A1MAPK1
SCHEMBL19542937 0.80 CYP3A4 (0.33) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL765779 0.79 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPRNPEP
SCHEMBL13010113 0.79 ALDH1A1 (0.40) TSHRALDH1A1MAPK1ANPEPERAP2
SCHEMBL28760216 0.79 TSHR (0.33) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL5016256 0.79 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3783006-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-02-24 EP disclosed
EP-3444258-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2020-07-01 EP disclosed
US-10683455-B2 Macromolecular antioxidants based on dual type moiety per molecule: structures, methods of making and using the same POLNOX CORPORATION (US) 2020-06-16 US disclosed
US-20190292454-A1 Macromolecular Antioxidants Based On Dual Type Moiety Per Molecule: Structures, Methods Of Making And Using The Same POLNOX CORPORATION 2019-09-26 US disclosed
US-20170283615-A1 IMPROVED ASPHALT PRODUCTS AND MATERIALS AND METHODS OF PRODUCING THEM IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2017-10-05 US disclosed
EP-1416000-B1 Process for preparing low molecular weight olefin (co)polymer and polymerizing catalyst used therefor MITSUI CHEMICALS INC (JP) 2011-12-21 EP 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-10683455-B2 Macromolecular antioxidants based on dual type moiety per molecule: structures, methods of making and using the same LPO, GPX4, DUOX2 TSHR 4573/4885ALDH1A1 420/4885MAPK1 3529/4885
US-20170283615-A1 IMPROVED ASPHALT PRODUCTS AND MATERIALS AND METHODS OF PRODUCING THEM PTAR1, LCAT, ANAPC7 TSHR 4876/4885ALDH1A1 880/4885MAPK1 3180/4885
US-20190292454-A1 Macromolecular Antioxidants Based On Dual Type Moiety Per Molecule: Structures, Methods Of Making And Using The Same LPO, GPX4, DUOX2 TSHR 4573/4885ALDH1A1 420/4885MAPK1 3529/4885

“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.