Dodecane

Dodecane

SCHEMBL3262468

CCCCCCCCCCCC.c1ccncc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
THRB P10828 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP2 P42575 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 3/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
CHRM1 P11229 2/20 0.42
ACHE P22303 2/20 0.42
SLC6A2 P23975 2/20 0.42

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
Tetradecane SCHEMBL27729242 1.00 TSHR (0.53) TSHRTDP1NAPRTTHRBKMT2A
Heptane SCHEMBL5680251 1.00 TSHR (0.53) TSHRTDP1NAPRTTHRBKMT2A
Pyridine SCHEMBL27689622 1.00 TSHR (0.53) TSHRTDP1NAPRTTHRBKMT2A
Hexadecane SCHEMBL27657619 1.00 TSHR (0.53) TSHRTDP1NAPRTTHRBKMT2A
Octane SCHEMBL11323035 1.00 TSHR (0.53) TSHRTDP1NAPRTTHRBKMT2A
Hexadecane SCHEMBL27382535 0.97 TSHR (0.50) TSHRTDP1NAPRTTHRBKMT2A
Hexadecane SCHEMBL27934579 0.97 TSHR (0.50) TSHRTDP1NAPRTTHRBKMT2A
Tetradecane SCHEMBL27944313 0.97 TSHR (0.50) TSHRTDP1NAPRTTHRBKMT2A
Dodecane SCHEMBL28141727 0.97 TSHR (0.50) TSHRTDP1NAPRTTHRBKMT2A
Pyridine SCHEMBL27637993 0.97 TSHR (0.50) TSHRTDP1NAPRTTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110350172-A A kind of metatitanic acid lithium cladding lithium titanate electrode material method 贵州大学 2019-10-18 CN disclosed
US-20130143928-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2013-06-06 US disclosed
US-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2010-01-21 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 (2 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-20100016367-A1 BIS-PYRINIDIUM COMPOUNDS PNPO, DHFR, PLPBP TSHR 2521/4885TDP1 2047/4885NAPRT 261/4885
US-20130143928-A1 BIS-PYRINIDIUM COMPOUNDS PNPO, DHFR, PLPBP TSHR 2521/4885TDP1 2047/4885NAPRT 261/4885

“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.