SCHEMBL22799028

SCHEMBL22799028

O=C1CCCN1CCCCCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
ADRA1B P35368 6/20 0.47
ADRA1A P35348 2/20 0.44
PIK3CD O00329 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22798981 1.00 KMT2A (0.47) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL22042597 1.00 KMT2A (0.47) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL22799085 1.00 KMT2A (0.47) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL22042609 1.00 KMT2A (0.47) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL22799156 1.00 KMT2A (0.47) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL4397528 0.98 KMT2A (0.49) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL10981771 0.94 ADRA1B (0.43) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL8071932 0.94 ADRA1B (0.43) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL8538168 0.92 KMT2A (0.44) KMT2AMEN1PKMTSHRADRA1B
SCHEMBL312170 0.92 KMT2A (0.50) KMT2AMEN1PKMTSHRADRA1B

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-20210032568-A1 POLYALKYLENE GLYCOL-CONTAINING COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2021-02-04 US disclosed
EP-3753968-A1 POLYALKYLENE GLYCOL-CONTAINING COMPOUND Nippon Shokubai Co., Ltd. (JP) 2020-12-23 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-20210032568-A1 POLYALKYLENE GLYCOL-CONTAINING COMPOUND AQP1, MGLL, SGMS1 KMT2A 2733/4885MEN1 3052/4885PKM 3631/4885

“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.