SCHEMBL2680835

SCHEMBL2680835

CC=C(OCC)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
PKM P14618 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
GLO1 Q04760 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
SCHEMBL18359189 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL16302160 0.79 GLO1 (0.32) ALDH1A1TRPA1LMNAHSD17B10GLO1
SCHEMBL16482101 0.79 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
SCHEMBL17340250 0.74 MGAM (0.31) MGAMGAASIMGAM2PKM
SCHEMBL4409308 0.69 ALOX15 (0.31) ALOX15
SCHEMBL14394755 0.67
SCHEMBL8995208 0.66 THRB (0.35)
SCHEMBL23194129 0.65
SCHEMBL7718363 0.65
SCHEMBL622054 0.63

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
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (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-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 ALDH1A1 28/4885TRPA1 2804/4885LMNA 4446/4885

“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.