SCHEMBL29449306

SCHEMBL29449306

CCCCCCC1CCC(CCCC)(CCCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
EPHX1 P07099 1/20 0.39
PRKCA P17252 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GNAO1 P09471 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.35
LSS P48449 2/20 0.34
GNAI3 P08754 1/20 0.34
GNAI1 P63096 1/20 0.34
PKM P14618 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL29449301 0.92 CYP1A2 (0.48) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449296 0.86 CYP1A2 (0.36) CYP1A2EPHX1PRKCATP53LSS
SCHEMBL30058831 0.86 CYP1A2 (0.45) CYP1A2EPHX1ALDH1A1GNAO1MEN1
SCHEMBL29449298 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449319 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449308 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449297 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449304 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL29449292 0.85 TP53 (0.35) CYP1A2EPHX1PRKCAALDH1A1GNAO1
SCHEMBL9646567 0.83 CYP1A2 (0.36) CYP1A2EPHX1PRKCAALDH1A1GNAO1

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-11851547-B2 Cyclohexane triester based plasticizer composition and resin composition comprising the same LG CHEM, LTD. (KR) 2023-12-26 US disclosed
EP-3875526-B1 CYCLOHEXANE TRIESTER-BASED PLASTICIZER COMPOSITION, AND RESIN COMPOSITION COMPRISING THE SAME LG CHEMICAL LTD (KR) 2022-10-19 EP disclosed
CN-112166147-B Cyclohexanetriester plasticizer composition and resin composition containing the same 株式会社LG化学 2022-04-12 CN 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-11851547-B2 Cyclohexane triester based plasticizer composition and resin composition comprising the same TRRAP, WDR12, CTRC CYP1A2 1414/4885EPHX1 652/4885PRKCA 3222/4885

“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.