SCHEMBL13086280

SCHEMBL13086280

CC(C)c1ccc2cc(C(C)C)cn2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.32
TYR P14679 3/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL24712800 0.86 ALDH1A1 (0.30) ALDH1A1HIF1AHTTGAAALOX12
SCHEMBL25949175 0.81 CYP1A2 (0.33) LMNATRPA1ALDH1A1NPC1MAPT
SCHEMBL1645600 0.77 NPC1 (0.47) PTGS1ALDH1A1MEN1NPC1POLB
SCHEMBL13086281 0.76 LMNA (0.34) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL12872426 0.74 ALOX15 (0.44) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL19756610 0.74 FABP4 (0.33) ALDH1A1GAAPOLB
SCHEMBL13086336 0.70
SCHEMBL26262663 0.67 SSTR4 (0.33)
SCHEMBL13086576 0.67 ALDH1A1 (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL21566714 0.67 NPSR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 US disclosed
WO-2021063915-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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 (3 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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 LMNA 1562/4885TRPA1 2747/4885PTGS1 960/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 LMNA 3953/4885TRPA1 4028/4885PTGS1 314/4885
US-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 LMNA 2078/4885TRPA1 3281/4885PTGS1 1514/4885

“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.