SCHEMBL6548766

SCHEMBL6548766

CCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.51
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
SLC2A1 P11166 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 1/20 0.38
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.35
CHRNA7 P36544 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTR2A P28223 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
SCHEMBL11018767 1.00 NR1I2 (0.51) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL28750606 1.00 NR1I2 (0.51) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL7648738 1.00 NR1I2 (0.51) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL7649259 0.96 NR1I2 (0.49) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL10481897 0.91 NR1I2 (0.45) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL27976821 0.91 NR1I2 (0.45) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL18660101 0.90 NR1I2 (0.58) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL3289894 0.88 HRH3 (0.45) NR1I2HTTHRH3SLC2A1CHRNA7
SCHEMBL25334695 0.84 NR1I2 (0.47) NR1I2HTTHRH3SLC2A1L3MBTL1
SCHEMBL10713006 0.84 NR1I2 (0.47) NR1I2HTTHRH3SLC2A1L3MBTL1

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
EP-1379484-A2 PROCESS FOR THE MONO-ALKYLATION OF MONOCYCLIC AROMATIC HYDROCARBON Akzo Nobel Surface Chemistry Aktiebolag (SE) 2004-01-14 EP disclosed
US-20020198420-A1 Mono-alkylation process for the preparation of anionic surfactants CROMPTON CORPORATION. 2002-12-26 US disclosed
WO-2002074720-A2 PROCESS FOR THE MONO-ALKYLATION OF MONOCYCLIC AROMATIC HYDROCARBON AKZO NOBEL SURFACE CHEMISTRY A.B. (SE) 2002-09-26 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-20020198420-A1 Mono-alkylation process for the preparation of anionic surfactants MGMT, ALK, PCNA NR1I2 3037/4885HTT 1066/4885HRH3 483/4885

“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.