SCHEMBL31330183

SCHEMBL31330183

CCCCNCCOCCOCCOCCOCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACHE P22303 7/20 0.38
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
SOAT1 P35610 1/20 0.37
ALOX15 P16050 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL29419572 0.89 PAOX (0.36) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL31330095 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL26901753 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
Hydrochloric Acid SCHEMBL31191863 0.84 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL16975008 0.83 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL5247338 0.83 ACHE (0.46) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL6290135 0.83 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL5249867 0.83 ACHE (0.46) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL26553592 0.82 CYP1A2 (0.49) KDM4EALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL11140956 0.81 TSHR (0.48) KDM4EALDH1A1TSHRCYP1A2CYP3A4

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-20250135006-A1 AMPHIPHILIC TLR7/8 ADJUVANTS AND USES THEREOF PFIZER (US) 2025-05-01 US disclosed
WO-2025012756-A1 AMPHIPHILIC TLR7/8 ADJUVANTS AND USES THEREOF PFIZER INC. (US) 2025-01-16 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-20250135006-A1 AMPHIPHILIC TLR7/8 ADJUVANTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 3504/4885ALDH1A1 3881/4885SMN1; SMN2 2681/4885

“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.