SCHEMBL13149057

SCHEMBL13149057

COCCOCCOCCOCC(=O)O[C@H](COc1cccc2ccccc12)CN(C(=O)COCCOCCOCCOC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 5/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ ADRB2 P07550 4/20 0.37
▸ ADRB1 P08588 4/20 0.37
▸ SIGMAR1 Q99720 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ ADRB3 P13945 3/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ SCN1A P35498 2/20 0.37

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
SCHEMBL13077344 0.90 TSHR (0.40) NR2E1TSHRALDH1A1KDM4EMEN1
SCHEMBL13149083 0.82 NR2E1 (0.61) NR2E1TSHRALDH1A1KDM4EKMT2A
SCHEMBL13149112 0.82 NR2E1 (0.61) NR2E1TSHRALDH1A1KDM4EKMT2A
SCHEMBL13077481 0.76 NR2E1 (0.47) NR2E1TSHRALDH1A1KDM4EMEN1
SCHEMBL13077524 0.76 HTR1A (0.43) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL13077340 0.76 NR2E1 (0.39) NR2E1TSHRALDH1A1KMT2ACYP2D6
SCHEMBL9330203 0.75 NR2E1 (0.50) NR2E1TSHRALDH1A1KDM4EMEN1
SCHEMBL9332855 0.75 NR2E1 (0.46) NR2E1TSHRALDH1A1KDM4EMEN1
SCHEMBL14571129 0.74 HTR1A (0.41) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL13040039 0.74 NR2E1 (0.37) NR2E1TSHRALDH1A1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251959-B2 Oligomer-beta blocker conjugates NEKTAR THERAPEUTICS (US) 2019-04-09 — — US disclosed
US-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES NEKTAR THERAPEUTICS 2017-12-21 — — US disclosed
US-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES NEKTAR THERAPEUTICS 2017-12-21 — — US disclosed
US-9782488-B2 Oligomer-beta blocker conjugates NEKTAR THERAPEUTICS (US) 2017-10-10 — — US disclosed
US-9782488-B2 Oligomer-beta blocker conjugates NEKTAR THERAPEUTICS (US) 2017-10-10 — — US disclosed
US-20100227865-A1 Oligomer-Beta Blocker Conjugates NEKTAR THERAPEUTICS 2010-09-09 — — 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-10251959-B2 Oligomer-beta blocker conjugates ADRB1, ADRB2, ADRA2B NR2E1 3263/4885TSHR 2501/4885ALDH1A1 2337/4885
US-20100227865-A1 Oligomer-Beta Blocker Conjugates ADRB1, ADRA2B, ADRB2 NR2E1 3339/4885TSHR 2513/4885ALDH1A1 1827/4885
US-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES ADRB1, ADRB2, ADRA2B NR2E1 3263/4885TSHR 2501/4885ALDH1A1 2337/4885

“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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