SCHEMBL15964465

SCHEMBL15964465

CC(C)(C)c1cc(C(C)(C)OO)cc(C(C)(C)OO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 2/20 0.52
POLB P06746 1/20 0.37
RXRB P28702 5/20 0.36
RXRA P19793 4/20 0.36
RXRG P48443 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HMGCR P04035 1/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL8582897 0.92 ALDH1A1 (0.59) GABRA1GABRB2ALDH1A1ALOX15MEN1
SCHEMBL11094902 0.82 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1ALOX15MEN1
SCHEMBL10929633 0.82 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1ALOX15POLB
SCHEMBL11811353 0.79 ALDH1A1 (0.65) ALDH1A1ALOX15POLBHPGDHSD17B10
SCHEMBL11572922 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15POLBRXRBRXRA
SCHEMBL2969176 0.77 ALDH1A1 (0.70) GABRA1GABRB2ALDH1A1ALOX15RXRB
SCHEMBL11072941 0.77 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1ALOX15
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2ALDH1A1ALOX15POLB
SCHEMBL44978 0.76 GABRA1 (0.48) GABRA1GABRB2ALDH1A1ALOX15POLB
SCHEMBL3262455 0.76 GABRA1 (0.48) GABRA1GABRB2ALDH1A1ALOX15POLB

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-8889926-B2 Method for the synthesis of low cost initiators for telechelic polyisobutylenes THE UNIVERSITY OF AKRON (US) 2014-11-18 US disclosed
US-20140235905-A1 METHOD FOR THE SYNTHESIS OF LOW COST INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2014-08-21 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-20140235905-A1 METHOD FOR THE SYNTHESIS OF LOW COST INITIATORS FOR TELECHELIC POLYISOBUTYLENES TERT, TBCB, CAT GABRA1 1456/4885GABRB2 606/4885ALDH1A1 972/4885

“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.