SCHEMBL2721141

SCHEMBL2721141

O=C(O)CNCCOCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LTA4H P09960 1/20 0.35
KCNH3 Q9ULD8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL17022393 0.98 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL20913712 0.98 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL13893120 0.85 CA1 (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL16638629 0.85 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7720634 0.84 LTA4H (0.36) TSHRMEN1KMT2ALTA4HSMN1; SMN2
SCHEMBL2607368 0.81 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL7716541 0.81 TSHR (0.47) TSHRKMT2AALDH1A1LTA4HCAMK2A
SCHEMBL28698203 0.81 MAOA (0.35) TSHRMEN1KMT2AALDH1A1LTA4H
SCHEMBL8333250 0.81 MAOA (0.44) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7220626 0.80 EPHX2 (0.39) TSHRLTA4HCA1CA2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES X-THERMA, INC. (US) 2023-09-21 US disclosed
EP-2495246-A1 FULLERENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-09-05 EP disclosed
EP-2448033-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-05-02 EP 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-20230292741-A1 NOVEL SUPERCOOLING METHODS FOR PRESERVATION OF BIOLOGICAL SAMPLES PPIG, AQP3, AQP1 TSHR 4596/4885MAPK1 4332/4885MEN1 3802/4885

“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.