SCHEMBL9327482

SCHEMBL9327482

CC(=O)OCCOCCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 4/20 0.58
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.41
CYP4F2 P78329 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
SCHEMBL20067022 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL20067055 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL20067031 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL20067023 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL28436234 0.96 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL2610373 0.91 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL9329713 0.91 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
1,4-Butanediol SCHEMBL15422850 0.89 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
Ethylene Glycol SCHEMBL10531251 0.88 ALDH1A1 (0.65) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL7696055 0.86 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856188-B1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS INC (US) 2023-06-21 EP disclosed
US-20220112184-A1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS, LLC 2022-04-14 US disclosed
US-11130752-B2 Aminopyrimidine compound CARDURION PHARMACEUTICALS, LLC (US) 2021-09-28 US disclosed
US-20200095240-A1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS, LLC 2020-03-26 US disclosed
CN-101300239-A 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN disclosed
EP-0381974-B1 Thiophene azo dyes with a coupling component based on m-phenylene diamine BASF AG (DE) 1994-03-16 EP disclosed
US-5145952-A Blue, textiles BASF AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0381974-A2 Thiophene azo dyes with a coupling component based on m-phenylene diamine BASF Aktiengesellschaft (DE) 1990-08-16 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-11130752-B2 Aminopyrimidine compound CALM1, CAMK4, CAMK2B ALDH1A1 1145/4885TSHR 2471/4885CHRM5 842/4885
US-20200095240-A1 AMINOPYRIMIDINE COMPOUND CALM1, CAMK4, CAMK2B ALDH1A1 1145/4885TSHR 2471/4885CHRM5 842/4885
US-20220112184-A1 AMINOPYRIMIDINE COMPOUND CALM1, CAMK4, CAMK2B ALDH1A1 1145/4885TSHR 2471/4885CHRM5 842/4885

“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.