SCHEMBL6554046

SCHEMBL6554046

COc1ccc(C(c2ccc(CC[C]=O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SLC2A1 P11166 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
F2RL1 P55085 1/20 0.44
MAOB P27338 2/20 0.42
CALM1 P0DP23 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
LDHA P00338 1/20 0.41
DAO P14920 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL692698 0.89 TAAR1 (0.55) ALDH1A1TSHRTAAR1F2RL1MAOB
SCHEMBL1272898 0.79 CALM1 (0.56) TAAR1F2RL1MAOBCALM1SMN1; SMN2
SCHEMBL6554052 0.77 SLC2A1 (0.46) ALDH1A1TSHRSLC2A1TAAR1CYP1A2
SCHEMBL11044744 0.76 CALM1 (0.53) TAAR1F2RL1MAOBCALM1GSK3A
SCHEMBL5702383 0.75 FFAR1 (0.68) ALDH1A1F2RL1LDHA
SCHEMBL16859725 0.75 SLC2A1 (0.71) ALDH1A1TSHRSLC2A1CYP1A2CYP2D6
SCHEMBL41022 0.75 SLC2A1 (0.71) ALDH1A1TSHRSLC2A1CYP1A2CYP2D6
SCHEMBL9825782 0.75 KDM4E (0.59) ALDH1A1SLC2A1CYP1A2SMN1; SMN2KDM4E
SCHEMBL2492732 0.74 POLB (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL10073799 0.73 SLC2A1 (0.53) SLC2A1TAAR1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP claimed
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 US claimed
EP-0898575-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KÖSTER, Hubert (US) 1999-03-03 EP claimed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 WO claimed
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP disclosed
US-6828435-B2 Three blocking groups are independently removable under 3 different conditions; using new protection schemes and solid phase synthesis, oligonucleotides are obtained in 5' to 3' direction using phosphoamidites and avoiding depurination HK PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 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-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES ADAR, RNMT, ATIC ALDH1A1 4111/4885TSHR 1687/4885SLC2A1 622/4885

“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.