SCHEMBL4618624

SCHEMBL4618624

CCCCCCCCCCC1COCCO1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
EPHX1 P07099 1/20 0.64
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
SPHK1 Q9NYA1 7/20 0.40
SPHK2 Q9NRA0 6/20 0.40
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCI P41743 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36

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
SCHEMBL11611467 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11615684 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1463562 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28284618 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1803193 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11694128 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28042954 1.00 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL18092763 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL15301129 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL2811229 0.98 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966647-A PHENYLETHYL ALCOHOL LEVER BROTHERS COMPANY (US) 1976-06-29 US claimed
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 US disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 US disclosed
EP-1832576-A1 4-Biarylyl-1-phenolyzetidin-2-ones Microbia Inc. (US) 2007-09-12 EP disclosed
EP-1682499-B1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA INC (US) 2007-08-08 EP disclosed
CN-1902169-A 4-biaryl-1-phenylazetidin-2-ones MICROBIA INC (US) 2007-01-24 CN disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
EP-1682499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2006-07-26 EP disclosed
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones IRONWOOD PHARMACEUTICALS, INC. 2005-09-22 US disclosed
WO-2005047248-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2005-05-26 WO disclosed
US-4124541-A Dioxa bicyclo dodecane and -hexadecane perfume compositions HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-11-07 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 (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-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES APOB, CYP46A1, PCSK9 ALDH1A1 848/4885EPHX1 3071/4885CHRM2 4264/4885
US-20050209165-A1 4-Biarylyl-1-phenylazetidin-2-ones APOB, CYP46A1, PCSK9 ALDH1A1 848/4885EPHX1 3071/4885CHRM2 4264/4885

“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.