SCHEMBL10039555

SCHEMBL10039555

CCCCOCC(=O)N1CCC(C(=O)OCC)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ TSHR P16473 5/20 0.58
▸ MAPT P10636 3/20 0.56
▸ MAPK1 P28482 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL12542224 0.84 POLB (0.51) ALDH1A1TSHRNPC1RAB9AKMT2A
SCHEMBL12615399 0.82 MAPT (0.59) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL10039556 0.82 SMN1; SMN2 (0.41) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL2607028 0.82 POLB (0.65) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL6983366 0.82 ALDH1A1 (0.68) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL12719906 0.81 ALDH1A1 (0.62) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL27997797 0.81 GAA (0.59) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL14186803 0.80 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL12297020 0.80 ALDH1A1 (0.69) ALDH1A1TSHRMAPTMAPK1TP53
SCHEMBL6983363 0.79 ALDH1A1 (0.68) ALDH1A1TSHRMAPTMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 — — US disclosed
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 — — US disclosed
EP-2125038-B1 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE HEALTHCARE LTD (GB) 2012-05-02 — — EP disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 — — 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 (3 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-20110129419-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885TSHR 1970/4885MAPT 2813/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885TSHR 1970/4885MAPT 2813/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885TSHR 1970/4885MAPT 2813/4885

“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.

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