SCHEMBL731332

SCHEMBL731332

C=CCC(O)C#Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.44
CYP2C19 P33261 3/20 0.41
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
THPO P40225 1/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
FFAR1 O14842 2/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL23024694 1.00 KMT2A (0.49) KMT2AMAPTCYP2C19APPSMN1; SMN2
SCHEMBL729985 0.82 KMT2A (0.38) KMT2AMAPTSMN1; SMN2MMP9LMNA
SCHEMBL730517 0.80 ACACB (0.39) KMT2AMAPTSMN1; SMN2CYP3A4CYP1A2
SCHEMBL23005265 0.80 MAPT (0.40) KMT2AMAPTCYP2C19APPMMP1
SCHEMBL28914691 0.77 HTR2A (0.46) KMT2AFFAR1HTR2A
SCHEMBL29144879 0.77 MAPT (0.38) KMT2AMAPTAPPSMN1; SMN2MMP1
SCHEMBL730494 0.75 PYGL (0.39) KMT2ACYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL2569114 0.75 LMNA (0.48) KMT2ACYP2C19APPSMN1; SMN2MMP9
SCHEMBL31605811 0.75 CYP1A2 (0.48) KMT2AMAPTCYP2C19APPSMN1; SMN2
SCHEMBL1490629 0.75 APP (0.44) KMT2AMAPTCYP2C19APPMMP1

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
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 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 (5 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C KMT2A 415/4885MAPT 274/4885CYP2C19 180/4885
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX KMT2A 2539/4885MAPT 4669/4885CYP2C19 43/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C KMT2A 415/4885MAPT 274/4885CYP2C19 180/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C KMT2A 415/4885MAPT 274/4885CYP2C19 180/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX KMT2A 2539/4885MAPT 4669/4885CYP2C19 43/4885

“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.