Hexane

Hexane

SCHEMBL1145162

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCCC(Cl)Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.48
DNM1 Q05193 2/20 0.48
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GPR84 Q9NQS5 3/20 0.42
FDPS P14324 3/20 0.42
SPHK1 Q9NYA1 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 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
SCHEMBL26106 1.00
SCHEMBL7574727 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL17747414 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL3754301 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL16969849 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL154425 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL688498 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL1525236 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL15226631 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
SCHEMBL977939 1.00 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028676-A1 Molecular Actuators, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-02-03 US disclosed
US-20100298590-A1 Silole-based monomers and polymers for organic light-emitting diode devices GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-25 US disclosed
EP-2235025-A1 SILOLE-BASED MONOMERS AND POLYMERS FOR ORGANIC LIGHT-EMITTING DIODE DEVICES Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
US-7658868-B2 Class of molecular actuators where bulk actuation mechanisms such as ion intercalation are enhanced by controllable single molecule conformational rearrangements offers promise in exhibiting large active strains at moderate stresses MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-09 US disclosed
WO-2009080796-A1 SILOLE-BASED MONOMERS AND POLYMERS FOR ORGANIC LIGHT-EMITTING DIODE DEVICES GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
US-20070215839-A1 Molecular actuators, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-09-20 US disclosed
US-7138075-B2 Molecular actuators, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-21 US disclosed
US-20040007695-A1 Molecular actuators, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-01-15 US disclosed
WO-2003101955-A2 MOLECULAR ACTUATORS, AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-12-11 WO 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-20070215839-A1 Molecular actuators, and methods of use thereof NOD2, PIEZO1, TPR TSHR 3217/4885THRB 3312/4885LMNA 3835/4885
US-20100298590-A1 Silole-based monomers and polymers for organic light-emitting diode devices CLTB, MAP1LC3B, MAP1LC3A TSHR 4780/4885THRB 3941/4885LMNA 1205/4885

“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.