SCHEMBL5915809

SCHEMBL5915809

CCC(C)c1cc(C(C)CC)c(CO)c(C(C)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RORC P51449 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
CYP2C9 P11712 1/20 0.33
TRPA1 O75762 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL1836944 0.78 TSHR (0.48) GABRA1TSHRALDH1A1USP2GAA
SCHEMBL5915803 0.77 GABRA1 (0.65) GABRA1GABRG2GABRB3TSHRHPGD
SCHEMBL11684933 0.76 TSHR (0.40) TSHRALDH1A1USP2GAAPKM
SCHEMBL5703484 0.76 TSHR (0.40) TSHRALDH1A1USP2GAAPKM
SCHEMBL5915945 0.75 ALDH1A1 (0.47) TSHRALDH1A1USP2GAAPKM
SCHEMBL11686432 0.74 ALDH1A1 (0.46) TSHRALDH1A1USP2GAAPKM
SCHEMBL15065156 0.73 TSHR (0.44) GABRA1TSHRALDH1A1USP2GAA
SCHEMBL2173625 0.73 TSHR (0.48) GABRA1TSHRALDH1A1USP2GAA
SCHEMBL6744605 0.73 TSHR (0.44) GABRA1TSHRALDH1A1USP2GAA
SCHEMBL29402818 0.72 PPARA (0.38) TSHRALDH1A1USP2GAAPKM

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-20060116526-A1 Process for producing pentaerythritol diphosphonates TEIJIN CHEMICALS LTD. (JP) 2006-06-01 US disclosed
EP-1586576-A1 PROCESS FOR THE PRODUCTION OF PENTAERYTHRITOL DIPHOSPHONATES Teijin Chemicals, Ltd. (JP) 2005-10-19 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 (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-20060116526-A1 Process for producing pentaerythritol diphosphonates INPPL1, PHOSPHO1, ARL1 GABRA1 4245/4885GABRG2 4382/4885GABRB3 4562/4885

“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.