SCHEMBL4799723

SCHEMBL4799723

ON=Cc1ccccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 4/20 0.40
TSHR P16473 2/20 0.40
FGF23 Q9GZV9 2/20 0.40
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR2 Q92731 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 2/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL28606288 1.00 HPGD (0.42) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL21756096 0.78 KDM4E (0.44) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL6779682 0.75 FGF23 (0.57) HPGDALDH1A1HTTTSHRFGF23
SCHEMBL11319128 0.74 GRIN2D (0.40) ALDH1A1FGF23LMNAL3MBTL1ESR2
SCHEMBL2161218 0.74 KMT2A (0.40) HPGDALDH1A1HTTL3MBTL1ESR2
SCHEMBL11638550 0.73 GAA (0.42) HPGDALDH1A1LMNAL3MBTL1MAPT
SCHEMBL11638545 0.73 L3MBTL1 (0.33) L3MBTL1HSD17B10
SCHEMBL11638543 0.73 GAA (0.42) HPGDALDH1A1LMNAL3MBTL1MAPT
SCHEMBL548147 0.72 LMNA (0.52) HPGDALDH1A1HTTTSHRLMNA
SCHEMBL28958240 0.72 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CYP1A2

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-7411094-B2 Method for the production of primary amines comprising a primary amino group which bound to an aliphatic or cycloaliphatic C-atom, and a cyclopropyl unit BASF AKTIENGESELLSCHAFT (DE) 2008-08-12 US disclosed
US-20080064901-A1 Method for the Production of Primary Amines Comprising a Primary Amino Group Which is Bound to an Aliphatic or Cycloaliphatic C-Atom, and a Cyclopropyl Unit BASF (DE) 2008-03-13 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-20080064901-A1 Method for the Production of Primary Amines Comprising a Primary Amino Group Which is Bound to an Aliphatic or Cycloaliphatic C-Atom, and a Cyclopropyl Unit CYCS, DAO, MAOB HPGD 2068/4885ALDH1A1 1991/4885HTT 2491/4885

“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.