SCHEMBL676550

SCHEMBL676550

CCCC(CCCCO)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.73
AKR1A1 P14550 1/20 0.73
CHRM3 P20309 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
ADRA1A P35348 1/20 0.73
HRH1 P35367 1/20 0.73
DRD3 P35462 1/20 0.73
SLC6A3 Q01959 1/20 0.73
HDAC1 Q13547 1/20 0.73
HDAC2 Q92769 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
CA2 P00918 1/20 0.56
MAPK1 P28482 1/20 0.56
GRIK1 P39086 3/20 0.50
GRIK2 Q13002 3/20 0.50
SLC1A2 P43004 3/20 0.50
SLC1A1 P43005 3/20 0.50
SLC1A3 P43003 2/20 0.50
CYP3A4 P08684 2/20 0.44

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
SCHEMBL3688450 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8984374 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5524593 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3833693 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5519471 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8984511 0.98 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL11163012 0.95 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29061428 0.93 CHRM1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9901936 0.93 CA2 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL49001 0.93 CHRM1 (0.76) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY 2011-11-10 US claimed
WO-2010039865-A2 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY (US) 2010-04-08 WO claimed
EP-0614741-B1 Method of making an elongate component and injection mold assembly for making the same MCNEIL PPC INC (US) 1997-12-03 EP claimed
CN-114044886-B Production method of polycaprolactone 青岛科技大学 2023-08-29 CN disclosed
US-10899729-B2 Method for producing bicyclic compound ONO PHARMACEUTICAL CO.. LTD. (JP) 2021-01-26 US disclosed
US-20190315705-A1 METHOD FOR PRODUCING BICYCLIC COMPOUND ONO PHARMACEUTICALS CO., LTD. (JP) 2019-10-17 US disclosed
EP-3480191-A1 METHOD FOR PRODUCING BICYCLIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2019-05-08 EP disclosed
US-9861096-B2 Biodegradable chemical delivery system CORNELL UNIVERSITY (US) 2018-01-09 US disclosed
US-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY 2011-11-10 US disclosed
WO-2010039865-A2 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM CORNELL UNIVERSITY (US) 2010-04-08 WO disclosed
EP-0614741-B1 Method of making an elongate component and injection mold assembly for making the same MCNEIL PPC INC (US) 1997-12-03 EP disclosed
EP-0614741-A1 Improved injection molded product and method McNEIL-PPC, INC. (US) 1994-09-14 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 (3 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-10899729-B2 Method for producing bicyclic compound OXER1, CYP8B1, CYP51A1 CHRM1 3259/4885AKR1A1 235/4885CHRM3 3092/4885
US-20190315705-A1 METHOD FOR PRODUCING BICYCLIC COMPOUND OXER1, CYP8B1, CYP51A1 CHRM1 3259/4885AKR1A1 235/4885CHRM3 3092/4885
US-20110275520-A1 BIODEGRADABLE CHEMICAL DELIVERY SYSTEM FAU, DDT, PFAS CHRM1 822/4885AKR1A1 4549/4885CHRM3 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.