SCHEMBL29316577

SCHEMBL29316577

CCCOCCOCC(=O)c1cccc(C(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
GRM5 P41594 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL10074432 0.89 CYP1A2 (0.46) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL29316574 0.82 CHRNB2 (0.41) CYP1A2MAPTGAASMN1; SMN2NPC1
SCHEMBL29672755 0.80 SUCNR1 (0.45)
SCHEMBL24418750 0.80 SUCNR1 (0.45)
SCHEMBL801053 0.79 CYP1A2 (0.58) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL10045803 0.78 CES1 (0.44) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL29316578 0.76 CYP1A2 (0.39) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL69653 0.76 MAPT (0.64) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL13893212 0.76 CYP1A2 (0.53) CYP1A2MAPTGAASMN1; SMN2CYP3A4
SCHEMBL29316553 0.74 MAPT (0.49) CYP1A2MAPTGAASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2024-07-18 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-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF BDNF, CD47, MAG CYP1A2 2641/4885MAPT 140/4885GAA 298/4885

“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.