SCHEMBL932920

SCHEMBL932920

C=CCOC(=O)CCOCCOCCOCCN1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNA5 P22460 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12092298 0.83 CHRM2 (0.35) TSHRTDP1SMN1; SMN2
SCHEMBL12080288 0.83 MEN1 (0.42) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL12092155 0.82 CHRM2 (0.36) TSHRTDP1SMN1; SMN2
SCHEMBL12092154 0.81 MEN1 (0.40) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL25242998 0.81 HRH2 (0.40) TSHRALDH1A1LMNAMAPTKMT2A
SCHEMBL931672 0.77 NPSR1 (0.41) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL3430112 0.76 TSHR (0.55) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL12092216 0.75 TSHR (0.47) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL12092182 0.75 TSHR (0.47) TSHRTDP1PKMSMN1; SMN2ALDH1A1
SCHEMBL15435923 0.74 NAMPT (0.43) TDP1SMN1; SMN2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
EP-2448929-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 TEAD3 3856/4885TSHR 4077/4885TDP1 3206/4885

“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.