SCHEMBL6554052

SCHEMBL6554052

COc1ccc(C(c2ccc(CCC=O)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
F2RL1 P55085 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 2/20 0.42
CALM1 P0DP23 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
LDHA P00338 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
SCHEMBL911097 0.89 TAAR1 (0.55) TAAR1SMN1; SMN2HTTF2RL1ALDH1A1
SCHEMBL24197395 0.84 MAOB (0.59) TAAR1SMN1; SMN2HTTF2RL1ALDH1A1
SCHEMBL1272900 0.79 CALM1 (0.56) TAAR1SMN1; SMN2F2RL1MAOBCALM1
Toluene SCHEMBL28669119 0.79 GPR52 (0.50) TAAR1SMN1; SMN2ALDH1A1GPR52
SCHEMBL3836788 0.77 CALM1 (0.55) TAAR1F2RL1MAOBCALM1
Hydrochloric Acid SCHEMBL6614288 0.77 CALM1 (0.55) TAAR1F2RL1MAOBCALM1
SCHEMBL6554046 0.77 ALDH1A1 (0.47) SLC2A1TAAR1CYP1A2CYP2D6CYP2C19
SCHEMBL11044754 0.76 CALM1 (0.53) TAAR1F2RL1CALM1
SCHEMBL27241091 0.76 CALM1 (0.53) TAAR1F2RL1CALM1
SCHEMBL5702383 0.75 FFAR1 (0.68) F2RL1ALDH1A1LDHA

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 SLC2A1 622/4885TAAR1 3655/4885CYP1A2 4592/4885

“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.