SCHEMBL4277702

SCHEMBL4277702

CC(C)COC(=O)c1ccc(OCC(C)C)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.46
MAOB P27338 4/20 0.45
XDH P47989 1/20 0.44
MAOA P21397 1/20 0.43
MAPT P10636 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 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
SCHEMBL4279588 0.85 MAOB (0.50) ALDH1A1MAOBMAOA
SCHEMBL19762377 0.85 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAOBMAOA
SCHEMBL17912418 0.82 ALDH1A1 (0.56) ALDH1A1TSHRMAPTADRB2ADRB1
SCHEMBL4281903 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNAXDHMAPT
SCHEMBL20833977 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMAPTADRB2
SCHEMBL19762355 0.81 ALDH1A1 (0.54) ALDH1A1TSHRMAPTADRB2ADRB1
SCHEMBL13366219 0.77 KDM4E (0.50) ALDH1A1TSHRMAOBMAOAMAPT
SCHEMBL19795501 0.76 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMAPTADRB2
SCHEMBL4625666 0.75 ALDH1A1 (0.64) ALDH1A1TSHRMAPTADRB2ADRB1
SCHEMBL30467187 0.75 MAOB (0.41) ALDH1A1MAOBXDHMAOAADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
CN-101284865-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-10-15 CN disclosed
CN-100378063-C Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-04-02 CN disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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 (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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ALDH1A1 2031/4885TSHR 4233/4885LMNA 4318/4885

“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.