SCHEMBL22769201

SCHEMBL22769201

COC(=O)CC(C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
ACACB O00763 2/20 0.46
CXCR1 P25024 3/20 0.45
CXCR2 P25025 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 2/20 0.44
HPGD P15428 1/20 0.44
ESR2 Q92731 1/20 0.44
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
ALB P02768 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
SCHEMBL13643084 0.87 F2 (0.43) RAB9AMAPTCXCR1CXCR2NPC1
SCHEMBL7710947 0.85 ESR1 (0.53) MAPTSMN1; SMN2ESR1ESR2TSHR
SCHEMBL19479754 0.85 ESR1 (0.53) MAPTSMN1; SMN2ESR1ESR2TSHR
SCHEMBL10509525 0.83 NPC1 (0.51) RAB9ANPC1ALDH1A1LMNACYP2C9
SCHEMBL22768597 0.81 MAPT (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2060365 0.79 CYP4F2 (0.59) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL13643085 0.78 KMT2A (0.50) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL22256182 0.78 HTR2A (0.51) RAB9ASMN1; SMN2HTR2AMEN1KMT2A
SCHEMBL8233788 0.76 PTPRB (0.56) RAB9AACACBCXCR1CXCR2SMN1; SMN2
SCHEMBL13802839 0.76 RAB9A (0.56) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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-20220220130-A1 NOVEL BORONIC ESTERS AND METHODS FOR MAKING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-07-14 US disclosed
US-20200385410-A1 NOVEL BORONIC ESTERS AND METHODS FOR MAKING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-12-10 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-20220220130-A1 NOVEL BORONIC ESTERS AND METHODS FOR MAKING THE SAME CD79B, BLVRB, BCL6 RAB9A 1258/4885MAPT 4066/4885ACACB 2574/4885
US-20200385410-A1 NOVEL BORONIC ESTERS AND METHODS FOR MAKING THE SAME CD79B, BLVRB, BCL6 RAB9A 1258/4885MAPT 4066/4885ACACB 2574/4885

“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.