SCHEMBL12092154

SCHEMBL12092154

C=CCOC(=O)CCOCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TSHR P16473 1/20 0.38
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR4 P61073 1/20 0.32

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
SCHEMBL12080288 0.99 MEN1 (0.42) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6530019 0.87 TSHR (0.42) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL30432962 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL932920 0.81 TEAD3 (0.38) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL3430112 0.78 TSHR (0.55) ALDH1A1TDP1KDM4ETSHRGAA
SCHEMBL6526014 0.77 NPSR1 (0.42) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL12092155 0.76 CHRM2 (0.36) TDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL25357568 0.76 NPSR1 (0.41) MEN1KMT2AALDH1A1TDP1TSHR
Hydrochloric Acid SCHEMBL12080073 0.76 NPSR1 (0.41) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL12092298 0.75 CHRM2 (0.35) TDP1TSHRSMN1; SMN2

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-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

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 MEN1 486/4885KMT2A 3995/4885ALDH1A1 1912/4885

“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.