SCHEMBL21391358

SCHEMBL21391358

CC(=O)c1ccc(OCc2ccccc2)c(CCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.54
PTGER4 P35408 2/20 0.54
PTGER3 P43115 2/20 0.54
PTGER2 P43116 2/20 0.54
MTNR1A P48039 3/20 0.54
MTNR1B P49286 2/20 0.54
MAOB P27338 2/20 0.52
ELANE P08246 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
BRD4 O60885 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SYK P43405 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL15417948 0.88 MTNR1B (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL15338464 0.87 MAOB (0.55) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL10664626 0.87 MAOB (0.57) MAOBELANEMRGPRX4SMN1; SMN2NPC1
SCHEMBL8318002 0.86 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8675320 0.86 MRGPRX4 (0.54) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8678298 0.85 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL7543730 0.85 MAOB (0.52) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8678301 0.84 MTNR1B (0.50) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8321075 0.84 MTNR1B (0.60) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8325723 0.83 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2020-05-12 US disclosed
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2019-09-26 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-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment LIPC, CYP27A1, HSD17B10 PTGER1 1515/4885PTGER4 1861/4885PTGER3 2139/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 PTGER1 1515/4885PTGER4 1861/4885PTGER3 2139/4885

“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.