SCHEMBL16376169

SCHEMBL16376169

CC(C)C(CCCCCCCCCOC(=O)C1CCCC1)CCCCCCCCCOC(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FKBP1A P62942 1/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ NAAA Q02083 1/20 0.32

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
SCHEMBL16376163 0.98 ALDH1A1 (0.39) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL16380580 0.87 ADRB2 (0.40) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL28824160 0.87 ADRB2 (0.40) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL23141734 0.86 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL29500422 0.86 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL15028294 0.86 ALDH1A1 (0.41) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL6981492 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL14241236 0.84 ALDH1A1 (0.42) ADRB2ADRB1ADRB3ALDH1A1EPHX2
SCHEMBL16376165 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL28099782 0.81 ALDH1A1 (0.46) ADRB2ADRB1ADRB3ALDH1A1EPHX2

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-9463247-B2 Branched alkyl and cycloalkyl terminated biodegradable lipids for the delivery of active agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-10-11 — — US disclosed
US-20150005363-A1 Branched Alkyl And Cycloalkyl Terminated Biodegradable Lipids For The Delivery Of Active Agents BANK OF AMERICA, N.A. 2015-01-01 — — 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-20150005363-A1 Branched Alkyl And Cycloalkyl Terminated Biodegradable Lipids For The Delivery Of Active Agents LIPA, CETP, APOB ADRB2 1626/4885ADRB1 922/4885ADRB3 612/4885

“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.

Send feedback