SCHEMBL5542490

SCHEMBL5542490

COC(=O)C=Cc1ccc(C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6505316 1.00 MAPT (0.53) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12808522 0.83 ALDH1A1 (0.56) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6171189 0.83 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL14926720 0.83 MAPT (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL10101069 0.83 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL1013781 0.83 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6171196 0.83 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL18322083 0.83 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL1508503 0.83 ESR1 (0.60) MAPTKDM4EKMT2AMEN1CYP1A1
SCHEMBL3896958 0.83 MAPT (0.54) MAPTALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1166745-B1 COSMETICS CONTAINING POLYSACCHARIDE-STEROL DERIVATIVES NOF CORP (JP) 2007-11-07 EP disclosed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP disclosed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US disclosed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO disclosed
EP-1166745-A1 COSMETICS CONTAINING POLYSACCHARIDE-STEROL DERIVATIVES NOF CORPORATION (JP) 2002-01-02 EP 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 (2 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-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 MAPT 2811/4885ALDH1A1 4235/4885KDM4E 1204/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 MAPT 2811/4885ALDH1A1 4235/4885KDM4E 1204/4885

“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.