SCHEMBL3823366

SCHEMBL3823366

CCC(C(=O)OCCc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
POLB P06746 1/20 0.57
KDM4A O75164 1/20 0.55
CHRM1 P11229 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
Phenylacetic Acid SCHEMBL3820170 0.93 KDM4E (0.55) KDM4EPOLBKDM4ACHRM1MEN1
SCHEMBL3954433 0.85 KDM4E (0.62) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL10279459 0.84 KDM4E (0.70) KDM4EPOLBCHRM1MEN1KMT2A
SCHEMBL27410877 0.83 ALDH1A1 (0.55) KDM4EPOLBKDM4ACHRM1MEN1
SCHEMBL12812894 0.83 KDM4E (0.61) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL6756399 0.82 KDM4E (0.59) KDM4ECHRM1MEN1KMT2ALMNA
SCHEMBL585944 0.81 HCAR2 (0.51) LMNAL3MBTL1HCAR2TDP1HSD17B10
SCHEMBL19105213 0.81 HCAR2 (0.51) LMNAL3MBTL1HCAR2TDP1HSD17B10
SCHEMBL19183449 0.81 ALOX5 (0.48) KDM4EPOLBKDM4AL3MBTL1MAPT
SCHEMBL10427476 0.81 CHRM1 (0.49) KDM4EPOLBCHRM1LMNAL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008014505-A2 BLENDS FOR IMPROVED SOLUBILIZATION OF ACTIVE AND FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-01-31 WO claimed
EP-1802290-A4 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTIMENTS INC (US) 2009-08-19 EP disclosed
WO-2008014505-A2 BLENDS FOR IMPROVED SOLUBILIZATION OF ACTIVE AND FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2008-01-31 WO disclosed
EP-1802290-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP Investiments Inc. (US) 2007-07-04 EP disclosed
WO-2006041506-A2 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS INC. (US) 2006-04-20 WO disclosed
US-20050152858-A1 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC. 2005-07-14 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-20050152858-A1 Solubilizing agents for active or functional organic compounds MITF, TYR, MMS19 KDM4E 1583/4885POLB 181/4885KDM4A 1265/4885

“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.