SCHEMBL20848664

SCHEMBL20848664

CC1(C(=O)OCC#CCC2(C(=O)NCc3ccccc3)COC(=O)OC2)COC(=O)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.37
MMP8 P22894 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
PPID Q08752 1/20 0.34
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL847441 0.78 TSHR (0.52) TSHRL3MBTL1MEN1KMT2AMAPT
SCHEMBL18531360 0.73
SCHEMBL19124738 0.73 KMT2A (0.43) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL846827 0.73 ALDH1A1 (0.47) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10262393 0.69 TSHR (0.44) TSHRL3MBTL1MEN1KMT2AMAPT
SCHEMBL20848347 0.69 CYP3A4 (0.39) MEN1KMT2AALDH1A1CYP3A4
SCHEMBL1300684 0.68 TSHR (0.43) TSHRL3MBTL1MEN1KMT2AMAPT
SCHEMBL12938624 0.66 NAAA (0.45) TSHRL3MBTL1MEN1KMT2AMAPT
SCHEMBL15502254 0.66 RAB9A (0.42) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL258710 0.66 NPC1 (0.34) TSHRNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190091338-A1 MIKTO-ARM STAR POLYMERS FOR DELIVERY OF THERAPEUTIC AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-03-28 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-20190091338-A1 MIKTO-ARM STAR POLYMERS FOR DELIVERY OF THERAPEUTIC AGENTS COQ8A, COQ8B, STARD7 TSHR 4074/4885L3MBTL1 986/4885MEN1 1881/4885

“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.