SCHEMBL9896384

SCHEMBL9896384

CC(C)CC1(CC(C)C)C(O)C(CC(C)C)(CC(C)C)C1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL28439911 0.86 ALOX15 (0.31) ALOX15
SCHEMBL14635030 0.73 ALOX15 (0.32) ALOX15TSHR
SCHEMBL14635386 0.66
SCHEMBL9896407 0.58 GBA1 (0.30)
SCHEMBL21280997 0.57
SCHEMBL13342084 0.56
SCHEMBL15141912 0.54
Methyl Alcohol SCHEMBL1990695 0.53
Isobutanol SCHEMBL11800894 0.50 TSHR (1.00) TSHR
Isobutanol SCHEMBL175952 0.50 TSHR (1.00) TSHR

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-8394997-B2 Process for the isomerization of 2,2,4,4-tetraalkylcyclobutane-1,3-diols EASTMAN CHEMICAL COMPANY (US) 2013-03-12 US disclosed
WO-2012078439-A1 PROCESS FOR THE ISOMERIZATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS EASTMAN CHEMICAL COMPANY (US) 2012-06-14 WO disclosed
US-20120149948-A1 PROCESS FOR THE ISOMERIZATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS EASTMAN CHEMICAL COMPANY (US) 2012-06-14 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-20120149948-A1 PROCESS FOR THE ISOMERIZATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS TRA2B, TFDP2, ADH1C ALOX15 2413/4885TSHR 3427/4885

“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.