SCHEMBL25825906

SCHEMBL25825906

CCC(C)(C)C(C)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
LTA4H P09960 3/20 0.39
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP2D6 P10635 2/20 0.38
KCNA3 P22001 1/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 1/20 0.36
TRPA1 O75762 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL16404283 0.81 LMNA (0.40) LMNAMTNR1AMTNR1BCYP2D6L3MBTL1
SCHEMBL11911977 0.79 ATM (0.40) LMNALTA4HMAOAMTNR1AMTNR1B
SCHEMBL11022205 0.79 KDM4E (0.40) LMNALTA4HMAOAPTGS1MTNR1A
SCHEMBL14463423 0.79 ATM (0.40) LMNALTA4HMAOAMTNR1AMTNR1B
SCHEMBL8718949 0.79 ATM (0.40) LMNALTA4HMAOAMTNR1AMTNR1B
SCHEMBL13990822 0.78 LTA4H (0.38) LMNALTA4HMAOAPTGS1MTNR1A
SCHEMBL25723218 0.78 LMNA (0.46) LMNALTA4HMTNR1AMTNR1BCYP2D6
SCHEMBL18118497 0.78 LMNA (0.37) LMNAL3MBTL1
SCHEMBL12450275 0.76 LMNA (0.47) LMNALTA4HMAOAPTGS1MTNR1A
SCHEMBL6421630 0.76 LMNA (0.43) LMNALTA4HMTNR1AMTNR1BCYP2D6

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 LMNA 1728/4885LTA4H 4475/4885MAOA 3064/4885

“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.