SCHEMBL3675728

SCHEMBL3675728

CCC(C)c1cccc(OO)c1C(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RORC P51449 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
LMNA P02545 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MCHR1 Q99705 1/20 0.33
BCHE P06276 1/20 0.33
TYR P14679 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 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
SCHEMBL15967942 0.85 TSHR (0.47) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL190108 0.83 TSHR (0.59) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL11692592 0.82 TSHR (0.48) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL15515578 0.82 TSHR (0.48) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL2371854 0.80 TSHR (0.58) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL29790800 0.79 INPPL1 (0.46) TSHRKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL6285578 0.79 INPPL1 (0.46) TSHRKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL9456644 0.78 GABRA1 (0.38) TSHRL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL11692058 0.77 TSHR (0.39) TSHRALDH1A1RORCLMNA
SCHEMBL9407311 0.77 TSHR (0.43) TSHRKDM4EL3MBTL1ATMNISCH

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-20100063329-A1 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS SHELL OIL COMPANY 2010-03-11 US disclosed
WO-2007137020-A2 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS SHELL OIL COMPANY (US) 2007-11-29 WO 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-20100063329-A1 METHOD FOR DECOMPOSING DI(PHENYLALKYL)PEROXIDES TO PRODUCE HYDROXYBENZENES AND PHENYLALKENES USING SOLID CATALYSTS HAO2, HDHD5, PPOX TSHR 4508/4885KDM4E 1378/4885L3MBTL1 3407/4885

“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.