SCHEMBL3886789

SCHEMBL3886789

O=C(O)COCCc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
KMT2A Q03164 3/20 0.53
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
TTR P02766 1/20 0.38
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL3584354 0.84 AKR1B1 (0.52) AKR1B1KMT2ATAAR1KDM4ESMN1; SMN2
SCHEMBL3897629 0.81 KMT2A (0.49) AKR1B1KMT2ATAAR1PTGDR2SMN1; SMN2
SCHEMBL3891807 0.81 KMT2A (0.47) KMT2ATAAR1PTGDR2SMN1; SMN2LMNA
SCHEMBL31038285 0.80 TAAR1 (0.56) AKR1B1TAAR1KDM4ESMN1; SMN2LMNA
SCHEMBL3885528 0.76 POLB (0.57) KMT2ASMN1; SMN2MEN1POLB
SCHEMBL2109135 0.75 AKR1B1 (0.63) AKR1B1KMT2ATAAR1KDM4ESMN1; SMN2
SCHEMBL3893736 0.75 ALDH1A1 (0.51) KMT2ATAAR1SMN1; SMN2FFAR4MEN1
SCHEMBL21473650 0.74 TTR (0.65) KMT2ALMNACYP2C9MAPK1USP2
SCHEMBL3248092 0.73 FFAR4 (0.55) SMN1; SMN2FFAR4LMNAMAPK1TDP1
SCHEMBL8103430 0.73 FFAR4 (0.56) FFAR4TDP1USP2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A AKR1B1 805/4885KMT2A 1329/4885TAAR1 116/4885

“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.